1-(2-chloranyl-5-nitro-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]thiourea Formula: C18H23ClN5O2S2+ MolecularWeight: 440.99052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O2S2/c1-22-6-8-23(9-7-22)16(17-3-2-10-28-17)12-20-18(27)21-15-11-13(24(25)26)4-5-14(15)19/h2-5,10-11,16H,6-9,12H2,1H3,(H2,20,21,27)/p+1/t16-/m1/s1