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

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(2-methoxy-4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C23H24N8O3S MolecularWeight: 492.55346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H24N8O3S/c1-34-21-14-17(31(32)33)6-7-19(21)25-23(35)28-11-8-16(9-12-28)22-24-10-13-29(22)15-30-20-5-3-2-4-18(20)26-27-30/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,25,35)