1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-3-(2-nitrophenyl)urea

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-3-(2-nitrophenyl)urea Openeye Name: 1-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-3-(2-nitrophenyl)urea CAS Name: 1-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-3-(2-nitrophenyl)urea IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-nitrophenyl)urea Traditional Name: 1-[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]-3-(2-nitrophenyl)urea Formula: C18H23N5O3S MolecularWeight: 389.47192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H23N5O3S/c1-21-8-10-22(11-9-21)16(17-7-4-12-27-17)13-19-18(24)20-14-5-2-3-6-15(14)23(25)26/h2-7,12,16H,8-11,13H2,1H3,(H2,19,20,24)