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

Systemtic Name: 3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S2/c1-4-29-22(28)19-18(15-8-6-5-7-9-15)14(3)31-20(19)25-23(30)24-17-12-16(21(26)27)11-10-13(17)2/h5-12H,4H2,1-3H3,(H,26,27)(H2,24,25,30)