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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-dimethylaminophenyl)methyl-methyl-amino]ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(4-dimethylaminophenyl)methyl-methyl-amino]acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-dimethylaminophenyl)methyl-methylamino]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-dimethylaminophenyl)methyl-methylamino]acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[[4-(dimethylamino)benzyl]-methyl-amino]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H28N4OS/c1-15-5-10-18-19(12-23)22(28-20(18)11-15)24-21(27)14-26(4)13-16-6-8-17(9-7-16)25(2)3/h6-9,15H,5,10-11,13-14H2,1-4H3,(H,24,27)/t15-/m0/s1