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

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-methoxyphenyl)propionamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H30N2O2S/c1-5-24(2,3)17-9-12-19-20(15-25)23(29-21(19)14-17)26-22(27)13-8-16-6-10-18(28-4)11-7-16/h6-7,10-11,17H,5,8-9,12-14H2,1-4H3,(H,26,27)