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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)OC

InChI

InChI=1S/C18H17BrN2O5S/c1-9-6-11(19)8-12(15(9)26-3)16(22)21-18(27)20-13-7-10(17(23)24)4-5-14(13)25-2/h4-8H,1-3H3,(H,23,24)(H2,20,21,22,27)