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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-2-phenoxy-acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-2-phenoxyacetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-2-phenoxyacetamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-2-phenoxy-acetamide Formula: C28H22N2O4S2 MolecularWeight: 514.61528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H22N2O4S2/c1-17-24(14-18-11-12-21-22(13-18)34-16-33-21)36-28(30-25(31)15-32-19-7-3-2-4-8-19)26(17)27-29-20-9-5-6-10-23(20)35-27/h2-13H,14-16H2,1H3,(H,30,31)