2-[2-(azepan-1-yl)ethanoylamino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(azepan-1-yl)ethanoylamino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-yl)acetyl]amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-yl)acetyl]amino]-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-N-(o-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCCCCC4

InChI

InChI=1S/C24H31N3O2S/c1-17-10-4-6-12-19(17)25-23(29)22-18-11-5-7-13-20(18)30-24(22)26-21(28)16-27-14-8-2-3-9-15-27/h4,6,10,12H,2-3,5,7-9,11,13-16H2,1H3,(H,25,29)(H,26,28)