4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-ethoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-ethoxyphenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-ethoxyphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(4-ethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-ethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-p-phenetyl-piperidine-1-carbothioamide Formula: C24H27N7OS MolecularWeight: 461.58248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H27N7OS/c1-2-32-20-9-7-19(8-10-20)26-24(33)29-14-11-18(12-15-29)23-25-13-16-30(23)17-31-22-6-4-3-5-21(22)27-28-31/h3-10,13,16,18H,2,11-12,14-15,17H2,1H3,(H,26,33)