4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-[(2,3-dimethoxyphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-o-veratryl-piperidine-1-carbothioamide Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H29N7O2S/c1-33-22-9-5-6-19(23(22)34-2)16-27-25(35)30-13-10-18(11-14-30)24-26-12-15-31(24)17-32-21-8-4-3-7-20(21)28-29-32/h3-9,12,15,18H,10-11,13-14,16-17H2,1-2H3,(H,27,35)