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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-(3-phenylpropanoylamino)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-[[3-(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=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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