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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(4-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-benzoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c30-25(17-18-26(31)32-19-7-12-21-8-3-1-4-9-21)29-27(34)28-23-13-15-24(16-14-23)33-20-22-10-5-2-6-11-22/h1-6,8-11,13-16H,7,12,17-20H2,(H2,28,29,30,34)