3-[(4-bromophenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(4-bromophenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-bromobenzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(4-bromobenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(4-bromobenzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H13BrN2O3S/c1-9-12(15(21)22)3-2-4-13(9)18-16(23)19-14(20)10-5-7-11(17)8-6-10/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)