1-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: [(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: [(Z)-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: [(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: [(Z)-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]amino]thiourea Formula: C13H19N6O2S+ MolecularWeight: 323.39396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=N\NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O2S/c1-17-4-6-18(7-5-17)11-3-2-10(8-12(11)19(20)21)9-15-16-13(14)22/h2-3,8-9H,4-7H2,1H3,(H3,14,16,22)/p+1/b15-9-