phenethyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O4S/c1-2-3-4-5-9-19-31-23-14-12-22(13-15-23)27-26(33)28-24(29)16-17-25(30)32-20-18-21-10-7-6-8-11-21/h6-8,10-15H,2-5,9,16-20H2,1H3,(H2,27,28,29,33)