2-[4-[2-(3-methyl-1-benzothiophen-2-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[2-(3-methylbenzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[2-(3-methylbenzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-20-22-10-5-6-11-23(22)32-24(20)18-26(31)29-15-7-14-28(16-17-29)19-25(30)27-13-12-21-8-3-2-4-9-21/h2-6,8-11H,7,12-19H2,1H3,(H,27,30)