N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: N-methyl-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: N-methyl-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: N-methyl-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N6O3S/c1-28-12-11-24-23(28)33-14-20(30)25-16-9-7-15(8-10-16)22(32)29(2)13-19-26-18-6-4-3-5-17(18)21(31)27-19/h3-12H,13-14H2,1-2H3,(H,25,30)(H,26,27,31)