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

Systemtic Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-methyl-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-methyl-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzothiophene-2-carboxamide Formula: C27H22Cl2N2O2S MolecularWeight: 509.44678

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H22Cl2N2O2S/c1-4-14(2)16-7-10-22-21(11-16)31-27(33-22)17-6-5-15(3)20(12-17)30-26(32)25-24(29)19-9-8-18(28)13-23(19)34-25/h5-14H,4H2,1-3H3,(H,30,32)