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

Systemtic Name: phenethyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-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=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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