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

Systemtic Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-benzamide Openeye Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide CAS Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide IUPAC Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide Traditional Name: N-[(5R)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C18H18N2OS/c1-11-3-6-13(7-4-11)17(21)20-18-15(10-19)14-9-12(2)5-8-16(14)22-18/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,20,21)/t12-/m1/s1