phenethyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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