ethyl 4-[(3-cyanophenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H20N4O2S/c1-2-22-16(21)20-8-6-13(7-9-20)18-15(23)19-14-5-3-4-12(10-14)11-17/h3-5,10,13H,2,6-9H2,1H3,(H2,18,19,23)