phenethyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-[(3-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-benzoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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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)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c29-24(14-15-25(30)31-17-16-20-8-3-1-4-9-20)28-26(33)27-22-12-7-13-23(18-22)32-19-21-10-5-2-6-11-21/h1-13,18H,14-17,19H2,(H2,27,28,29,33)