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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C25H20ClN3O4S/c26-18-7-8-19-20(11-18)28-25(29(24(19)31)13-16-4-2-1-3-5-16)34-14-23(30)27-12-17-6-9-21-22(10-17)33-15-32-21/h1-11H,12-15H2,(H,27,30)