3-chloranyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-chloro-benzothiophene-2-carboxamide Formula: C23H23ClN2OS2 MolecularWeight: 443.02452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H23ClN2OS2/c1-4-23(2,3)13-9-10-14-16(12-25)22(29-18(14)11-13)26-21(27)20-19(24)15-7-5-6-8-17(15)28-20/h5-8,13H,4,9-11H2,1-3H3,(H,26,27)