N-[4-[[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-16(24)21-18-7-5-17(6-8-18)15-22-9-3-10-23(12-11-22)20(25)14-19-4-2-13-26-19/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,21,24)