3-phenylpropyl 5-oxidanylidene-5-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(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=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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