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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(dimethylamino)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-(dimethylamino)benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(dimethylamino)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-(dimethylamino)benzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-(dimethylamino)benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-14-18(12-24)23(25-22(27)16-5-7-17(8-6-16)26(2)3)30-21(14)11-15-4-9-19-20(10-15)29-13-28-19/h4-10H,11,13H2,1-3H3,(H,25,27)