4-[[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzamide CAS Name: 4-[[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]benzamide IUPAC Name: 4-[[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)9-10-25-20(27)17-8-7-16(22)11-18(17)24-21(25)28-12-14-3-5-15(6-4-14)19(23)26/h3-8,11,13H,9-10,12H2,1-2H3,(H2,23,26)