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

Systemtic Name: 3-chloranyl-N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 3-chloro-N-[(6R)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 3-chloro-N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 3-chloro-N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[(6R)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-chloro-benzamide Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2OS/c1-4-21(2,3)14-8-9-16-17(12-23)20(26-18(16)11-14)24-19(25)13-6-5-7-15(22)10-13/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,24,25)/t14-/m1/s1