N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzothiophene-2-carboxamide Formula: C26H20Cl2N2O2S MolecularWeight: 495.4202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H20Cl2N2O2S/c1-3-14(2)16-6-11-21-20(12-16)30-26(32-21)15-4-8-18(9-5-15)29-25(31)24-23(28)19-10-7-17(27)13-22(19)33-24/h4-14H,3H2,1-2H3,(H,29,31)