methyl 4-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(5-chloranyl-2-piperidin-1-yl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[[5-chloro-2-(1-piperidyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[5-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-piperidin-1-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(5-chloro-2-piperidino-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C17H24ClN3O2S MolecularWeight: 369.90936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCC2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCC2

InChI

InChI=1S/C17H24ClN3O2S/c1-23-16(22)6-5-9-19-17(24)20-14-12-13(18)7-8-15(14)21-10-3-2-4-11-21/h7-8,12H,2-6,9-11H2,1H3,(H2,19,20,24)