methyl 4-[[4-(phenylcarbamoyl)piperidin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(phenylcarbamoyl)piperidin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(phenylcarbamoyl)piperidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[anilino(oxo)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(phenylcarbamoyl)piperidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(phenylcarbamoyl)piperidine-1-carbothioyl]amino]butyric acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O3S/c1-24-16(22)8-5-11-19-18(25)21-12-9-14(10-13-21)17(23)20-15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,25)(H,20,23)