3,5-bis(bromanyl)-2-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[(2-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(2-chloro-4-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(2-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(2-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(2-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H11Br2ClN2O3S MolecularWeight: 506.59614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Br2ClN2O3S/c1-7-2-3-9(12(19)4-7)14(22)21-16(25)20-13-10(15(23)24)5-8(17)6-11(13)18/h2-6H,1H3,(H,23,24)(H2,20,21,22,25)