N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenyl-benzamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenyl-benzamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-phenyl-benzamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenylbenzamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenylbenzamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-phenyl-benzamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2OS/c1-4-27(2,3)21-14-15-22-23(17-28)26(31-24(22)16-21)29-25(30)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,21H,4,14-16H2,1-3H3,(H,29,30)