2-[[2-[(4-carbamothioylphenyl)carbonylamino]-6-methoxycarbonyl-pyridin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(4-carbamothioylphenyl)carbonylamino]-6-methoxycarbonyl-pyridin-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(4-carbamothioylbenzoyl)amino]-6-methoxycarbonyl-3-pyridyl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[[(4-carbamothioylphenyl)-oxomethyl]amino]-6-methoxycarbonyl-3-pyridinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(4-carbamothioylbenzoyl)amino]-6-methoxycarbonylpyridin-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[6-carbomethoxy-2-[(4-thiocarbamoylbenzoyl)amino]-3-pyridyl]carbamoyl]benzoic acid Formula: C23H18N4O6S MolecularWeight: 478.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=NC(=C(C=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)17-11-10-16(26-21(29)14-4-2-3-5-15(14)22(30)31)19(25-17)27-20(28)13-8-6-12(7-9-13)18(24)34/h2-11H,1H3,(H2,24,34)(H,26,29)(H,30,31)(H,25,27,28)