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

Systemtic Name: 2-[(4-bromophenyl)amino]-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(4-bromoanilino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(4-bromoanilino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(4-bromoanilino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-(4-bromoanilino)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-11-2-7-14-15(9-20)18(24-16(14)8-11)22-17(23)10-21-13-5-3-12(19)4-6-13/h3-6,11,21H,2,7-8,10H2,1H3,(H,22,23)/t11-/m0/s1