[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] N,N-dicyclohexylcarbamodithioate

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] N,N-dicyclohexylcarbamodithioate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl] N,N-dicyclohexylcarbamodithioate CAS Name: N,N-dicyclohexylcarbamodithioic 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] N,N-dicyclohexylcarbamodithioate Traditional Name: N,N-dicyclohexylcarbamodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl] ester Formula: C30H38N2OS2 MolecularWeight: 506.76552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=S)SCCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=S)SCCC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53

InChI

InChI=1S/C30H38N2OS2/c33-29(32-27-17-9-7-11-23(27)19-20-24-12-8-10-18-28(24)32)21-22-35-30(34)31(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h7-12,17-18,25-26H,1-6,13-16,19-22H2