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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20N2O4S2/c1-2-28-21(27)17-12-18(15-6-4-3-5-7-15)30-19(17)24-22(29)23-13-14-8-10-16(11-9-14)20(25)26/h3-12H,2,13H2,1H3,(H,25,26)(H2,23,24,29)