3-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,3-dichlorophenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2,3-dichlorophenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,3-dichlorophenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C15H12Cl2N2O2S MolecularWeight: 355.23898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C15H12Cl2N2O2S/c1-8-5-6-9(14(20)21)7-12(8)19-15(22)18-11-4-2-3-10(16)13(11)17/h2-7H,1H3,(H,20,21)(H2,18,19,22)