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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-thienylmethyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-thenyl)urea Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NCC2=CC=CS2)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NCC2=CC=CS2)N3CCCCCC3

InChI

InChI=1S/C19H28N4OS/c1-22-10-6-9-17(22)18(23-11-4-2-3-5-12-23)15-21-19(24)20-14-16-8-7-13-25-16/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H2,20,21,24)