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

Systemtic Name: phenethyl 4-[(4-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-oxo-4-(p-tolylcarbamothioylamino)butanoate CAS Name: 4-[[(4-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolylthiocarbamoylamino)butyric acid phenethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O3S/c1-15-7-9-17(10-8-15)21-20(26)22-18(23)11-12-19(24)25-14-13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,21,22,23,26)