3-phenylpropyl 5-oxidanylidene-5-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-(propylcarbamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[3-(propylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O4S/c1-2-16-26-24(31)20-12-6-13-21(18-20)27-25(33)28-22(29)14-7-15-23(30)32-17-8-11-19-9-4-3-5-10-19/h3-6,9-10,12-13,18H,2,7-8,11,14-17H2,1H3,(H,26,31)(H2,27,28,29,33)