methyl 4-(1,4-diazabicyclo[4.3.0]nonane-4-carbothioylamino)benzoate
Molecular Formula:
C
16
H
21
N
3
O
2
S
InChI:
InChI=1/C16H21N3O2S/c1-21-15(20)12-4-6-13(7-5-12)17-16(22)19-10-9-18-8-2-3-14(18)11-19/h4-7,14H,2-3,8-11H2,1H3,(H,17,22)/f/h17H
InChIKey:
InChIKey=QWYFVZWSSTVHOL-HCKMINDGCX
SMILES:
COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3CCCC3C2
Names:
methyl 4-(1,4-diazabicyclo[4.3.0]nonane-4-carbothioylamino)benzoate
Registries:
PubChem CID 4128307
PubChem ID 6060058