phenethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-butoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-2-3-15-28-20-11-7-10-19(17-20)24-23(30)25-21(26)12-13-22(27)29-16-14-18-8-5-4-6-9-18/h4-11,17H,2-3,12-16H2,1H3,(H2,24,25,26,30)