2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazino]-N-(2,4-dimethylphenyl)acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N3OS/c1-17-7-8-21(18(2)13-17)24-23(27)15-26-11-9-25(10-12-26)14-19-16-28-22-6-4-3-5-20(19)22/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,27)