2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=CN3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=CN3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N4O3S2/c1-13-2-4-15-18(8-13)30-20(23-15)24-19(26)11-29-21-22-6-7-25(21)10-14-3-5-16-17(9-14)28-12-27-16/h2-9H,10-12H2,1H3,(H,23,24,26)