6-[2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C25H18ClN3O4S MolecularWeight: 491.94612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C25H18ClN3O4S/c1-14-17(26)6-4-8-20(14)29-24(32)16-5-2-3-7-18(16)28-25(29)34-13-21(30)15-9-10-22-19(11-15)27-23(31)12-33-22/h2-11H,12-13H2,1H3,(H,27,31)