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

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-furylmethyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(2-furanylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2-furfuryl)piperidine-1-carbothioamide Formula: C21H23N7OS MolecularWeight: 421.51862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCC5=CC=CO5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)C(=S)NCC5=CC=CO5

InChI

InChI=1S/C21H23N7OS/c30-21(23-14-17-4-3-13-29-17)26-10-7-16(8-11-26)20-22-9-12-27(20)15-28-19-6-2-1-5-18(19)24-25-28/h1-6,9,12-13,16H,7-8,10-11,14-15H2,(H,23,30)