3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]benzoic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H20N2O4S2/c1-3-28-21(27)18-17(14-8-5-4-6-9-14)13(2)30-19(18)24-22(29)23-16-11-7-10-15(12-16)20(25)26/h4-12H,3H2,1-2H3,(H,25,26)(H2,23,24,29)