N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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