3,6-bis(chloranyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]benzothiophene-2-carboxamide Formula: C21H11Cl2N3O2S MolecularWeight: 440.30194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N=C(O2)C5=CC=NC=C5

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)N=C(O2)C5=CC=NC=C5

InChI

InChI=1S/C21H11Cl2N3O2S/c22-12-1-3-14-17(9-12)29-19(18(14)23)20(27)25-13-2-4-16-15(10-13)26-21(28-16)11-5-7-24-8-6-11/h1-10H,(H,25,27)