N-[4-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C22H25N3O4S2/c1-15(2)12-13-25-21(27)18-6-4-5-7-19(18)23-22(25)30-14-20(26)16-8-10-17(11-9-16)24-31(3,28)29/h4-11,15,24H,12-14H2,1-3H3