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

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(naphthalen-1-ylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(1-naphthylmethyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(1-naphthalenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(naphthalen-1-ylmethyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(1-naphthylmethyl)piperidine-1-carbothioamide Formula: C27H27N7S MolecularWeight: 481.61518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H27N7S/c35-27(29-18-22-8-5-7-20-6-1-2-9-23(20)22)32-15-12-21(13-16-32)26-28-14-17-33(26)19-34-25-11-4-3-10-24(25)30-31-34/h1-11,14,17,21H,12-13,15-16,18-19H2,(H,29,35)