3,6-bis(chloranyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H12Cl2N4O2S2 MolecularWeight: 499.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H12Cl2N4O2S2/c23-12-3-5-14-17(8-12)32-19(18(14)24)20(29)28-22(31)26-13-4-6-16-15(9-13)27-21(30-16)11-2-1-7-25-10-11/h1-10H,(H2,26,28,29,31)