1-[(Z)-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(Z)-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-[(Z)-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(Z)-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(Z)-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-benzylidene]amino]thiourea Formula: C20H25N6O2S+ MolecularWeight: 413.5165

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C=NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])/C=N\NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H24N6O2S/c1-24-9-11-25(12-10-24)18-7-8-19(26(27)28)17(13-18)15-22-23-20(29)21-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,21,23,29)/p+1/b22-15-