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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-3,4-dimethyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-3,4-dimethyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-3,4-dimethylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-3,4-dimethyl-benzamide Formula: C29H24N2O3S2 MolecularWeight: 512.64246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O3S2/c1-16-8-10-20(12-17(16)2)27(32)31-29-26(28-30-21-6-4-5-7-24(21)35-28)18(3)25(36-29)14-19-9-11-22-23(13-19)34-15-33-22/h4-13H,14-15H2,1-3H3,(H,31,32)