N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C25H20ClN3O4S/c1-15-6-8-16(9-7-15)12-29-24(31)17-4-2-3-5-19(17)28-25(29)34-13-23(30)27-20-11-22-21(10-18(20)26)32-14-33-22/h2-11H,12-14H2,1H3,(H,27,30)