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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

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