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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-methoxy-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-methoxy-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-4-methoxybenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-methoxybenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-4-methoxy-benzamide 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)C4=CC=C(C=C4)OC)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O4S2/c1-16-24(14-17-7-12-21-22(13-17)34-15-33-21)36-28(30-26(31)18-8-10-19(32-2)11-9-18)25(16)27-29-20-5-3-4-6-23(20)35-27/h3-13H,14-15H2,1-2H3,(H,30,31)