N-methyl-3-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]benzamide

Systemtic Name: N-methyl-3-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]benzamide Openeye Name: N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide CAS Name: N-methyl-3-[[[4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide Traditional Name: N-methyl-3-[[4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoyl]amino]benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C21H21N5O3S/c1-22-19(28)15-4-3-5-17(12-15)25-20(29)14-6-8-16(9-7-14)24-18(27)13-30-21-23-10-11-26(21)2/h3-12H,13H2,1-2H3,(H,22,28)(H,24,27)(H,25,29)