3-phenylpropyl 5-oxidanylidene-5-[(4-phenylmethoxyphenyl)carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-phenylmethoxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[(4-benzyloxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(4-phenylmethoxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-[(4-benzoxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4S/c31-26(14-7-15-27(32)33-20-8-13-22-9-3-1-4-10-22)30-28(35)29-24-16-18-25(19-17-24)34-21-23-11-5-2-6-12-23/h1-6,9-12,16-19H,7-8,13-15,20-21H2,(H2,29,30,31,35)