ethyl 4-[(4-methylphenyl)carbonylcarbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)carbonylcarbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(4-methylbenzoyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylbenzoyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-(p-toluoylthiocarbamoylamino)piperidine-1-carboxylic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-3-23-17(22)20-10-8-14(9-11-20)18-16(24)19-15(21)13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H2,18,19,21,24)