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

Systemtic Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)ethanoyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(3-methylbenzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[2-(3-methyl-1-benzothiophen-2-yl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(3-methyl-1-benzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(3-methylbenzothiophen-2-yl)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC(=O)N3CCCN(CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-21-10-5-6-11-22(21)31-23(19)16-25(30)28-13-7-12-27(14-15-28)18-24(29)26-17-20-8-3-2-4-9-20/h2-6,8-11H,7,12-18H2,1H3,(H,26,29)