ethyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2S/c1-3-22-16(21)20-9-7-12(8-10-20)18-15(23)19-14-6-4-5-13(17)11(14)2/h4-6,12H,3,7-10H2,1-2H3,(H2,18,19,23)