[2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-[4-(4-acetamidobenzyl)-1,4-diazepan-1-yl]-2-keto-ethyl] ester Formula: C19H28N4O2S2 MolecularWeight: 408.58122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC(=S)N(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC(=S)N(C)C

InChI

InChI=1S/C19H28N4O2S2/c1-15(24)20-17-7-5-16(6-8-17)13-22-9-4-10-23(12-11-22)18(25)14-27-19(26)21(2)3/h5-8H,4,9-14H2,1-3H3,(H,20,24)