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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(2-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(2-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2-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=C2OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2OCC3=CC=CC=C3

InChI

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