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

Systemtic Name: 1-[(E)-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: [(E)-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: [(E)-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: [(E)-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: [(E)-[4-(4-methylpiperazino)-3-nitro-benzylidene]amino]thiourea Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(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)/b15-9+