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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4S/c29-22(14-15-23(30)32-18-6-9-19-7-2-1-3-8-19)27-25(33)26-21-12-10-20(11-13-21)24(31)28-16-4-5-17-28/h1-3,7-8,10-13H,4-6,9,14-18H2,(H2,26,27,29,33)