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

Systemtic Name: 2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C19H25N3OS MolecularWeight: 343.4863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H25N3OS/c1-16-8-13-24-18(16)14-21-9-5-10-22(12-11-21)15-19(23)20-17-6-3-2-4-7-17/h2-4,6-8,13H,5,9-12,14-15H2,1H3,(H,20,23)