methyl 4-methyl-3-[(2-methylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(2-methylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-methyl-3-(o-tolylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[(2-methylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-methyl-3-(o-tolylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2C

InChI

InChI=1S/C17H18N2O2S/c1-11-6-4-5-7-14(11)18-17(22)19-15-10-13(16(20)21-3)9-8-12(15)2/h4-10H,1-3H3,(H2,18,19,22)