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

Systemtic Name: N-[4-[[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[1-benzothiophen-2-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-17(27)24-20-9-7-18(8-10-20)16-25-11-4-12-26(14-13-25)23(28)22-15-19-5-2-3-6-21(19)29-22/h2-3,5-10,15H,4,11-14,16H2,1H3,(H,24,27)