2-[[3-[(4-carbamothioylphenyl)carbonylamino]-5-methoxycarbonyl-pyridin-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[(4-carbamothioylphenyl)carbonylamino]-5-methoxycarbonyl-pyridin-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[(4-carbamothioylbenzoyl)amino]-5-methoxycarbonyl-2-pyridyl]carbamoyl]benzoic acid CAS Name: 2-[[[3-[[(4-carbamothioylphenyl)-oxomethyl]amino]-5-methoxycarbonyl-2-pyridinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[(4-carbamothioylbenzoyl)amino]-5-methoxycarbonylpyridin-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-carbomethoxy-3-[(4-thiocarbamoylbenzoyl)amino]-2-pyridyl]carbamoyl]benzoic acid Formula: C23H18N4O6S MolecularWeight: 478.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C23H18N4O6S/c1-33-23(32)14-10-17(26-20(28)13-8-6-12(7-9-13)18(24)34)19(25-11-14)27-21(29)15-4-2-3-5-16(15)22(30)31/h2-11H,1H3,(H2,24,34)(H,26,28)(H,30,31)(H,25,27,29)