[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] 4-aminocarbonylpiperidine-1-carbodithioate

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] 4-aminocarbonylpiperidine-1-carbodithioate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl] 4-carbamoylpiperidine-1-carbodithioate CAS Name: 4-carbamoyl-1-piperidinecarbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] ester IUPAC Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl] 4-carbamoylpiperidine-1-carbodithioate Traditional Name: 4-carbamoylpiperidine-1-carbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl] ester Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C24H27N3O2S2/c25-23(29)19-11-14-26(15-12-19)24(30)31-16-13-22(28)27-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)27/h1-8,19H,9-16H2,(H2,25,29)