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

Systemtic Name: propyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-2-13-26-17(24)10-9-16(23)21-19(27)20-15-7-5-14(6-8-15)18(25)22-11-3-4-12-22/h5-8H,2-4,9-13H2,1H3,(H2,20,21,23,27)