3-chloranyl-N-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethyl]benzamide Openeye Name: 3-chloro-N-[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethyl]benzamide CAS Name: 3-chloro-N-[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]benzamide IUPAC Name: 3-chloro-N-[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethyl]benzamide Traditional Name: 3-chloro-N-[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]ethyl]benzamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H20ClN3O4S/c1-27-16-9-14-15(10-17(16)28-2)23-18(24-20(14)26)11-29-7-6-22-19(25)12-4-3-5-13(21)8-12/h3-5,8-10H,6-7,11H2,1-2H3,(H,22,25)(H,23,24,26)