N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]acetamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CN(N=C3)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CN(N=C3)C

InChI

InChI=1S/C22H31N5OS/c1-6-22(2,3)16-7-8-17-18(10-23)21(29-19(17)9-16)25-20(28)14-26(4)12-15-11-24-27(5)13-15/h11,13,16H,6-9,12,14H2,1-5H3,(H,25,28)