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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-tert-butyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-tert-butylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24N2O3S/c1-15-19(13-26)24(27-23(28)17-6-8-18(9-7-17)25(2,3)4)31-22(15)12-16-5-10-20-21(11-16)30-14-29-20/h5-11H,12,14H2,1-4H3,(H,27,28)