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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-[[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c32-25(18-9-19-26(33)35-20-10-13-21-11-3-1-4-12-21)31-28(36)30-24-17-8-7-16-23(24)27(34)29-22-14-5-2-6-15-22/h1-8,11-12,14-17H,9-10,13,18-20H2,(H,29,34)(H2,30,31,32,36)