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

Systemtic Name: methyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

InChI

InChI=1S/C17H21N3O4S/c1-24-15(22)9-8-14(21)19-17(25)18-13-6-4-12(5-7-13)16(23)20-10-2-3-11-20/h4-7H,2-3,8-11H2,1H3,(H2,18,19,21,25)