N-(2,2-dimethoxyethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide

Systemtic Name: N-(2,2-dimethoxyethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: N-(2,2-dimethoxyethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide CAS Name: N-(2,2-dimethoxyethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide IUPAC Name: N-(2,2-dimethoxyethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Traditional Name: N-(2,2-dimethoxyethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC=C(C=C1)CNC2=NC(=S)NC3=CC=CC=C32)OC

Isomeric SMILES

COC(CNC(=O)C1=CC=C(C=C1)CNC2=NC(=S)NC3=CC=CC=C32)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-17(27-2)12-22-19(25)14-9-7-13(8-10-14)11-21-18-15-5-3-4-6-16(15)23-20(28)24-18/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H2,21,23,24,28)