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

Systemtic Name: [2-oxidanylidene-2-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Openeye Name: [2-[4-[2-(benzylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-2-oxo-ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-oxo-2-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1,4-diazepan-1-yl]ethyl] ester IUPAC Name: [2-[4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-[4-[2-(benzylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-2-keto-ethyl] ester Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S2/c27-21(24-16-19-8-3-1-4-9-19)17-25-12-7-13-26(15-14-25)22(28)18-30-23(29)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,27)