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

Systemtic Name: 1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(o-tolyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(o-tolyl)urea Formula: C20H27N3OS MolecularWeight: 357.51288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H27N3OS/c1-16-8-4-5-9-18(16)22-20(24)21-14-19(17-10-13-25-15-17)23-11-6-2-3-7-12-23/h4-5,8-10,13,15,19H,2-3,6-7,11-12,14H2,1H3,(H2,21,22,24)