3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

InChI

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