[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate

Systemtic Name: [2-oxidanylidene-2-[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Openeye Name: [2-oxo-2-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-oxo-2-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]ethyl] ester Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S2/c28-22(25-13-12-20-8-3-1-4-9-20)18-26-14-7-15-27(17-16-26)23(29)19-31-24(30)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,25,28)