2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]benzoic acid

Systemtic Name: 2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]benzoic acid Openeye Name: 2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]benzoic acid CAS Name: 2-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]benzoic acid IUPAC Name: 2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]benzoic acid Traditional Name: 2-[3-chloro-4-(2-methylthiobenzoyl)anilino]benzoic acid Formula: C21H16ClNO2S MolecularWeight: 381.87524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C21H16ClNO2S/c1-13-6-2-3-7-15(13)20(26)16-11-10-14(12-18(16)22)23-19-9-5-4-8-17(19)21(24)25/h2-12,23H,1H3,(H,24,25)