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

Systemtic Name: N-[(2S)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(2S)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(2S)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2S)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C23H27ClN2OS MolecularWeight: 414.99128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2OS/c1-23(2,3)16-12-10-15(11-13-16)18(26(4)5)14-25-22(27)21-20(24)17-8-6-7-9-19(17)28-21/h6-13,18H,14H2,1-5H3,(H,25,27)/t18-/m1/s1