N-methyl-3-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-methyl-3-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-methyl-3-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carbothioamide CAS Name: N-methyl-3-(6-nitro-1H-benzimidazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: N-methyl-3-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Traditional Name: N-methyl-3-(6-nitro-1H-benzimidazol-2-yl)piperidine-1-carbothioamide Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCC(C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1CCCC(C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2S/c1-15-14(22)18-6-2-3-9(8-18)13-16-11-5-4-10(19(20)21)7-12(11)17-13/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,22)(H,16,17)