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

Systemtic Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(2-nitrophenyl)urea Openeye Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-(2-nitrophenyl)urea CAS Name: 1-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-3-(2-nitrophenyl)urea IUPAC Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-3-(2-nitrophenyl)urea Traditional Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-3-(2-nitrophenyl)urea Formula: C18H24N5O3S+ MolecularWeight: 390.47986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](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)/p+1/t16-/m1/s1