2-azanyl-3-[(4-methylphenyl)carbamothioyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[(4-methylphenyl)carbamothioyl]benzenesulfonic acid Openeye Name: 2-amino-3-(p-tolylcarbamothioyl)benzenesulfonic acid CAS Name: 2-amino-3-[(4-methylanilino)-sulfanylidenemethyl]benzenesulfonic acid IUPAC Name: 2-amino-3-[(4-methylphenyl)carbamothioyl]benzenesulfonic acid Traditional Name: 2-amino-3-(p-tolylthiocarbamoyl)besylic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C2=C(C(=CC=C2)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)C2=C(C(=CC=C2)S(=O)(=O)O)N

InChI

InChI=1S/C14H14N2O3S2/c1-9-5-7-10(8-6-9)16-14(20)11-3-2-4-12(13(11)15)21(17,18)19/h2-8H,15H2,1H3,(H,16,20)(H,17,18,19)