9-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-methyl-8-(octylamino)-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-10-one
Molecular Formula:
C32H36N6O3S2
InChI: InChI=1/C32H36N6O3S2/c1-5-6-7-8-9-13-18-33-27-24(29(39)36-19-14-15-21(2)28(36)34-27)20-25-30(40)37(32(42)43-25)26-22(3)35(4)38(31(26)41)23-16-11-10-12-17-23/h10-12,14-17,19-20,33H,5-9,13,18H2,1-4H3
InChIKey: InChIKey=MXSZWFBTOTUIBL-UHFFFAOYAX
SMILES: CCCCCCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
Names:
9-[[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-methyl-8-(octylamino)-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-10-one
Registries:
PubChem CID 4474014
PubChem ID 6594539
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