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

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 4-benzyl-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C24H22N2OS MolecularWeight: 386.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H22N2OS/c1-16-7-12-22-20(13-16)21(15-25)24(28-22)26-23(27)19-10-8-18(9-11-19)14-17-5-3-2-4-6-17/h2-6,8-11,16H,7,12-14H2,1H3,(H,26,27)/t16-/m0/s1