[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate

Systemtic Name: [2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Openeye Name: [2-oxo-2-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-oxo-2-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-(3-thenyl)-1,4-diazepan-1-yl]ethyl] ester Formula: C19H22N2OS3 MolecularWeight: 390.58578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C19H22N2OS3/c22-18(15-25-19(23)17-5-2-1-3-6-17)21-9-4-8-20(10-11-21)13-16-7-12-24-14-16/h1-3,5-7,12,14H,4,8-11,13,15H2