methyl 4-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-13-9-11-22(12-10-13)18(25)14-3-5-15(6-4-14)20-19(27)21-16(23)7-8-17(24)26-2/h3-6,13H,7-12H2,1-2H3,(H2,20,21,23,27)