phenethyl 4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-isobutoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-isobutoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-17(2)16-29-20-10-6-9-19(15-20)24-23(30)25-21(26)11-12-22(27)28-14-13-18-7-4-3-5-8-18/h3-10,15,17H,11-14,16H2,1-2H3,(H2,24,25,26,30)