4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(2-methyl-5-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methyl-5-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methyl-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C23H24N8O2S MolecularWeight: 476.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H24N8O2S/c1-16-6-7-18(31(32)33)14-20(16)25-23(34)28-11-8-17(9-12-28)22-24-10-13-29(22)15-30-21-5-3-2-4-19(21)26-27-30/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,25,34)