ethyl 1-[(diphenylmethyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(diphenylmethyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(benzhydrylcarbamothioyl)piperidine-3-carboxylate CAS Name: 1-[[(diphenylmethyl)amino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzhydrylcarbamothioyl)piperidine-3-carboxylate Traditional Name: 1-(benzhydrylthiocarbamoyl)nipecotic acid ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-2-26-21(25)19-14-9-15-24(16-19)22(27)23-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3,(H,23,27)