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

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-morpholinoethyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-[2-(4-morpholinyl)ethyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-morpholinoethyl)piperidine-1-carbothioamide Formula: C22H30N8OS MolecularWeight: 454.5916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCCN5CCOCC5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCCN5CCOCC5

InChI

InChI=1S/C22H30N8OS/c32-22(24-7-11-27-13-15-31-16-14-27)28-9-5-18(6-10-28)21-23-8-12-29(21)17-30-20-4-2-1-3-19(20)25-26-30/h1-4,8,12,18H,5-7,9-11,13-17H2,(H,24,32)