N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-piperonyl-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4S/c1-25-10-9-23-22(25)31-13-20(27)24-17-6-4-16(5-7-17)21(28)26(2)12-15-3-8-18-19(11-15)30-14-29-18/h3-11H,12-14H2,1-2H3,(H,24,27)