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

Systemtic Name: 5-chloranyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methoxybenzamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-2-methoxy-benzamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2S/c1-5-22(2,3)13-6-8-15-17(12-24)21(28-19(15)10-13)25-20(26)16-11-14(23)7-9-18(16)27-4/h7,9,11,13H,5-6,8,10H2,1-4H3,(H,25,26)