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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-2,2-dimethyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-2,2-dimethylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-2,2-dimethyl-propionamide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C(C)(C)C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C(C)(C)C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O3S2/c1-14-20(12-15-9-10-17-18(11-15)30-13-29-17)32-23(27-24(28)25(2,3)4)21(14)22-26-16-7-5-6-8-19(16)31-22/h5-11H,12-13H2,1-4H3,(H,27,28)