ethyl 4-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O3S MolecularWeight: 371.88218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O3S/c1-3-23-16(21)20-8-6-12(7-9-20)18-15(24)19-13-10-11(17)4-5-14(13)22-2/h4-5,10,12H,3,6-9H2,1-2H3,(H2,18,19,24)