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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC)Br

InChI

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