3-phenylpropyl 5-oxidanylidene-5-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

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