N-(1,3-benzodioxol-5-yl)-2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl

InChI

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