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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]benzamide Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N4O4S/c1-15-26-20-9-5-3-7-18(20)25(27-15)34-13-23(30)29-19-8-4-2-6-17(19)24(31)28-16-10-11-21-22(12-16)33-14-32-21/h2-12H,13-14H2,1H3,(H,28,31)(H,29,30)