N-[3-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methyl-benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide Traditional Name: N-[3-(azepane-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-methyl-benzamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O2S/c1-16-10-12-17(13-11-16)21(26)24-22-20(18-8-4-5-9-19(18)28-22)23(27)25-14-6-2-3-7-15-25/h10-13H,2-9,14-15H2,1H3,(H,24,26)