N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-methyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-methyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-methyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-4-methylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-methylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-4-methyl-benzamide Formula: C28H22N2O3S2 MolecularWeight: 498.61588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H22N2O3S2/c1-16-7-10-19(11-8-16)26(31)30-28-25(27-29-20-5-3-4-6-23(20)34-27)17(2)24(35-28)14-18-9-12-21-22(13-18)33-15-32-21/h3-13H,14-15H2,1-2H3,(H,30,31)