N-(1,3-benzodioxol-5-yl)-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1N2C=CN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O4S/c27-20(12-31-22-23-9-10-26(22)15-6-7-15)25-17-4-2-1-3-16(17)21(28)24-14-5-8-18-19(11-14)30-13-29-18/h1-5,8-11,15H,6-7,12-13H2,(H,24,28)(H,25,27)