[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] N,N-dicyclohexylcarbamodithioate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] N,N-dicyclohexylcarbamodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] N,N-dicyclohexylcarbamodithioate CAS Name: N,N-dicyclohexylcarbamodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] N,N-dicyclohexylcarbamodithioate Traditional Name: N,N-dicyclohexylcarbamodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C29H36N2OS2 MolecularWeight: 492.73894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2OS2/c32-28(31-26-17-9-7-11-22(26)19-20-23-12-8-10-18-27(23)31)21-34-29(33)30(24-13-3-1-4-14-24)25-15-5-2-6-16-25/h7-12,17-18,24-25H,1-6,13-16,19-21H2