3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4S/c1-9-7-11(19)8-13(15(9)25-3)16(22)21-18(26)20-14-6-4-5-12(10(14)2)17(23)24/h4-8H,1-3H3,(H,23,24)(H2,20,21,22,26)