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

Systemtic Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(3-methylbenzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(3-methylbenzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-18-20-10-5-6-11-21(20)30-22(18)16-24(29)27-13-7-12-26(14-15-27)17-23(28)25-19-8-3-2-4-9-19/h2-6,8-11H,7,12-17H2,1H3,(H,25,28)