methyl 4-[(4-piperidin-1-ylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-piperidin-1-ylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(1-piperidyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-piperidin-1-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-piperidinophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-22-16(21)6-5-11-18-17(23)19-14-7-9-15(10-8-14)20-12-3-2-4-13-20/h7-10H,2-6,11-13H2,1H3,(H2,18,19,23)