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

Systemtic Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenyl-propanamide Openeye Name: N-[(6S)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-propanamide CAS Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylpropanamide IUPAC Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylpropanamide Traditional Name: N-[(6S)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-propionamide Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2OS/c1-4-23(2,3)17-11-12-18-19(15-24)22(27-20(18)14-17)25-21(26)13-10-16-8-6-5-7-9-16/h5-9,17H,4,10-14H2,1-3H3,(H,25,26)/t17-/m0/s1