3-phenylpropyl 5-oxidanylidene-5-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4S/c1-22(24-15-6-3-7-16-24)31-29(36)25-17-8-9-18-26(25)32-30(38)33-27(34)19-10-20-28(35)37-21-11-14-23-12-4-2-5-13-23/h2-9,12-13,15-18,22H,10-11,14,19-21H2,1H3,(H,31,36)(H2,32,33,34,38)