ethyl 4-oxidanylidene-4-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCC2

InChI

InChI=1S/C18H23N3O4S/c1-2-25-16(23)10-9-15(22)20-18(26)19-14-8-4-3-7-13(14)17(24)21-11-5-6-12-21/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,19,20,22,26)