3-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3-methoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(3-methoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-methoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-carbomethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]benzoic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S2/c1-26-19(25)15-11-16(12-6-3-2-4-7-12)28-17(15)22-20(27)21-14-9-5-8-13(10-14)18(23)24/h2-11H,1H3,(H,23,24)(H2,21,22,27)