[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] 2-ethylpiperidine-1-carbodithioate

Systemtic Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl] 2-ethylpiperidine-1-carbodithioate Openeye Name: [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl] 2-ethylpiperidine-1-carbodithioate CAS Name: 2-ethyl-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] 2-ethylpiperidine-1-carbodithioate Traditional Name: 2-ethylpiperidine-1-carbodithioic acid [3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl] ester Formula: C25H30N2OS2 MolecularWeight: 438.6485

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCC1CCCCN1C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C25H30N2OS2/c1-2-21-11-7-8-17-26(21)25(29)30-18-16-24(28)27-22-12-5-3-9-19(22)14-15-20-10-4-6-13-23(20)27/h3-6,9-10,12-13,21H,2,7-8,11,14-18H2,1H3