N-(5-acetamido-2-methoxy-phenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C22H23N5O4S/c1-14(28)24-17-8-9-19(31-3)18(12-17)26-21(30)15-4-6-16(7-5-15)25-20(29)13-32-22-23-10-11-27(22)2/h4-12H,13H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)