1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)thiourea Openeye Name: 1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(4-methyl-1-piperazinyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(4-methylpiperazino)-3-(3-nitrophenyl)thiourea Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O2S/c1-15-5-7-16(8-6-15)14-12(20)13-10-3-2-4-11(9-10)17(18)19/h2-4,9H,5-8H2,1H3,(H2,13,14,20)