3-phenylpropyl 5-oxidanylidene-5-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4S/c30-23(11-6-12-24(31)33-19-7-10-20-8-2-1-3-9-20)28-26(34)27-22-15-13-21(14-16-22)25(32)29-17-4-5-18-29/h1-3,8-9,13-16H,4-7,10-12,17-19H2,(H2,27,28,30,34)