3-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-(3-thienylmethyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-(3-thiophenylmethyl)-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-(3-thenyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4SC3=O)CC5=CSC=C5

InChI

InChI=1S/C21H22N4OS2/c26-21-25(18-3-1-2-4-19(18)28-21)15-24-11-8-22-20(24)17-5-9-23(10-6-17)13-16-7-12-27-14-16/h1-4,7-8,11-12,14,17H,5-6,9-10,13,15H2