1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-thiophen-2-yl-urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-thiophen-2-yl-urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-thienyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-thiophen-2-ylurea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-thiophen-2-ylurea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-thienyl)urea Formula: C18H26N4OS MolecularWeight: 346.49024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NC2=CC=CS2)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NC2=CC=CS2)N3CCCCCC3

InChI

InChI=1S/C18H26N4OS/c1-21-10-6-8-15(21)16(22-11-4-2-3-5-12-22)14-19-18(23)20-17-9-7-13-24-17/h6-10,13,16H,2-5,11-12,14H2,1H3,(H2,19,20,23)