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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-piperonyl-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O4S/c1-25-9-8-22-21(25)30-12-19(26)24-16-5-3-15(4-6-16)20(27)23-11-14-2-7-17-18(10-14)29-13-28-17/h2-10H,11-13H2,1H3,(H,23,27)(H,24,26)