4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)piperidine-1-carbothioamide Openeye Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-indan-5-yl-piperidine-1-carbothioamide CAS Name: 4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-piperidinecarbothioamide IUPAC Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)piperidine-1-carbothioamide Traditional Name: 4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-N-indan-5-yl-piperidine-1-carbothioamide Formula: C25H27N7S MolecularWeight: 457.59378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=S)N3CCC(CC3)C4=NC=CN4CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=S)N3CCC(CC3)C4=NC=CN4CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H27N7S/c33-25(27-21-9-8-18-4-3-5-20(18)16-21)30-13-10-19(11-14-30)24-26-12-15-31(24)17-32-23-7-2-1-6-22(23)28-29-32/h1-2,6-9,12,15-16,19H,3-5,10-11,13-14,17H2,(H,27,33)