1-(azepan-1-yl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazino]ethanone Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O2S/c1-17-18-8-4-5-9-19(18)28-21(17)22(27)25-14-12-23(13-15-25)16-20(26)24-10-6-2-3-7-11-24/h4-5,8-9H,2-3,6-7,10-16H2,1H3