N-(2-methylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-isobutyl-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2-methylpropyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methylpropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-isobutyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O2S/c1-12(2)11-16-15(22)18-9-7-17(8-10-18)13-3-5-14(6-4-13)19(20)21/h3-6,12H,7-11H2,1-2H3,(H,16,22)