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

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(4-phenylbutyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(4-phenylbutyl)piperidine-1-carbothioamide Formula: C26H31N7S MolecularWeight: 473.63624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCCCCC5=CC=CC=C5

InChI

InChI=1S/C26H31N7S/c34-26(28-15-7-6-10-21-8-2-1-3-9-21)31-17-13-22(14-18-31)25-27-16-19-32(25)20-33-24-12-5-4-11-23(24)29-30-33/h1-5,8-9,11-12,16,19,22H,6-7,10,13-15,17-18,20H2,(H,28,34)