3-phenylpropyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c31-24(17-18-25(32)34-19-9-12-20-10-3-1-4-11-20)30-27(35)29-23-16-8-7-15-22(23)26(33)28-21-13-5-2-6-14-21/h1-8,10-11,13-16H,9,12,17-19H2,(H,28,33)(H2,29,30,31,35)