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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(3-phenylpropanoylamino)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(3-phenylpropanoylamino)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(3-phenylpropanoylamino)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O4S/c34-27(14-7-15-29(36)37-22-8-13-23-9-3-1-4-10-23)33-30(38)32-26-19-17-25(18-20-26)31-28(35)21-16-24-11-5-2-6-12-24/h1-6,9-12,17-20H,7-8,13-16,21-22H2,(H,31,35)(H2,32,33,34,38)