4-[[methyl-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]amino]methyl]benzamide

Systemtic Name: 4-[[methyl-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]amino]methyl]benzamide Openeye Name: 4-[[methyl-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]amino]methyl]benzamide CAS Name: 4-[[methyl-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]methyl]benzamide IUPAC Name: 4-[[methyl-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]amino]methyl]benzamide Traditional Name: 4-[[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl-methyl-amino]methyl]benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H26N4O3S/c1-26(15-16-10-12-17(13-11-16)21(24)29)20(28)9-3-2-6-14-27-22(30)18-7-4-5-8-19(18)25-23(27)31/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H2,24,29)(H,25,31)