4-[[5-chloranyl-3-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-3-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-chloro-3-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-chloro-3-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-chloro-3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-chloro-3-[(3-chloro-4-methoxy-benzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid Formula: C21H16Cl2N2O5S MolecularWeight: 479.33314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C21H16Cl2N2O5S/c1-30-16-7-2-11(8-15(16)22)10-24-19(27)14-9-17(23)31-20(14)25-18(26)12-3-5-13(6-4-12)21(28)29/h2-9H,10H2,1H3,(H,24,27)(H,25,26)(H,28,29)