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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(3-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-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(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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