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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)Br

InChI

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