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

Systemtic Name: N-(1-adamantyl)-4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioamide Formula: C26H33N7S MolecularWeight: 475.65212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C26H33N7S/c34-25(28-26-14-18-11-19(15-26)13-20(12-18)16-26)31-8-5-21(6-9-31)24-27-7-10-32(24)17-33-23-4-2-1-3-22(23)29-30-33/h1-4,7,10,18-21H,5-6,8-9,11-17H2,(H,28,34)