4-[(4-carbamothioylphenyl)-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-carbamothioylphenyl)-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-carbamothioyl-N-methyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-carbamothioyl-N-methylanilino)-4-oxobutanoic acid IUPAC Name: 4-(4-carbamothioyl-N-methylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(N-methyl-4-thiocarbamoyl-anilino)butyric acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=S)N)C(=O)CCC(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=S)N)C(=O)CCC(=O)O

InChI

InChI=1S/C12H14N2O3S/c1-14(10(15)6-7-11(16)17)9-4-2-8(3-5-9)12(13)18/h2-5H,6-7H2,1H3,(H2,13,18)(H,16,17)