methyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(3-piperidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-(piperidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N2CCCCC2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N2CCCCC2

InChI

InChI=1S/C18H23N3O4S/c1-25-16(23)9-8-15(22)20-18(26)19-14-7-5-6-13(12-14)17(24)21-10-3-2-4-11-21/h5-7,12H,2-4,8-11H2,1H3,(H2,19,20,22,26)