3-chloranyl-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]benzothiophene-2-carboxamide Formula: C20H21ClN2OS MolecularWeight: 372.91154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)N(C)C

InChI

InChI=1S/C20H21ClN2OS/c1-13-8-10-14(11-9-13)16(23(2)3)12-22-20(24)19-18(21)15-6-4-5-7-17(15)25-19/h4-11,16H,12H2,1-3H3,(H,22,24)/t16-/m1/s1