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

Systemtic Name: methyl 4-[(4-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-oxo-4-(p-tolylcarbamothioylamino)butanoate CAS Name: 4-[[(4-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolylthiocarbamoylamino)butyric acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C13H16N2O3S/c1-9-3-5-10(6-4-9)14-13(19)15-11(16)7-8-12(17)18-2/h3-6H,7-8H2,1-2H3,(H2,14,15,16,19)