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

Systemtic Name: 3-[[2,3-bis(chloranyl)phenyl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,3-dichlorobenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(2,3-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2,3-dichlorobenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,3-dichlorobenzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H12Cl2N2O3S MolecularWeight: 383.24908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2N2O3S/c1-8-5-6-9(15(22)23)7-12(8)19-16(24)20-14(21)10-3-2-4-11(17)13(10)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)