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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(3-phenylmethoxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[(3-benzyloxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(3-phenylmethoxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-[(3-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(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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