N-[4-(2-cyanopropan-2-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)C(C)(C)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)C(C)(C)C#N

InChI

InChI=1S/C20H22N2OS/c1-13-4-9-17-14(10-13)11-18(24-17)19(23)22-16-7-5-15(6-8-16)20(2,3)12-21/h5-8,11,13H,4,9-10H2,1-3H3,(H,22,23)