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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5)Cl

InChI

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