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

Systemtic Name: 3-phenylpropyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-hexoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-hexoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O4S/c1-2-3-4-8-19-31-23-15-13-22(14-16-23)27-26(33)28-24(29)17-18-25(30)32-20-9-12-21-10-6-5-7-11-21/h5-7,10-11,13-16H,2-4,8-9,12,17-20H2,1H3,(H2,27,28,29,33)