4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-[3-(methylthio)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide Formula: C23H25N7S2 MolecularWeight: 463.6215

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H25N7S2/c1-32-19-6-4-5-18(15-19)25-23(31)28-12-9-17(10-13-28)22-24-11-14-29(22)16-30-21-8-3-2-7-20(21)26-27-30/h2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H,25,31)