phenethyl 4-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-16(26)25(2)19-10-8-18(9-11-19)23-22(30)24-20(27)12-13-21(28)29-15-14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H2,23,24,27,30)