2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H22ClN3O4S/c1-32-21-11-9-18(13-22(21)33-2)27-23(30)15-34-25-28-20-12-17(26)8-10-19(20)24(31)29(25)14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,27,30)