ethyl 4-[(diphenylmethyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(diphenylmethyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-(benzhydrylcarbamothioylamino)piperidine-1-carboxylate CAS Name: 4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzhydrylcarbamothioylamino)piperidine-1-carboxylate Traditional Name: 4-(benzhydrylthiocarbamoylamino)piperidine-1-carboxylic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-22(26)25-15-13-19(14-16-25)23-21(28)24-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H2,23,24,28)