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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-9-3-4-10(16(22)23)7-13(9)19-17(25)20-15(21)12-8-11(18)5-6-14(12)24-2/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,25)