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

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[4-(2-anilino-2-oxo-ethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-[4-(2-anilino-2-keto-ethyl)-1,4-diazepan-1-yl]-2-keto-ethyl] ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=S)SCC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H26N4O2S2/c1-20(2)18(25)26-14-17(24)22-10-6-9-21(11-12-22)13-16(23)19-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,19,23)