2-[(4-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(3-fluorophenyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C25H21ClFN3O3S MolecularWeight: 497.968943

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)F

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21ClFN3O3S/c1-33-12-11-28-23(31)17-7-10-21-22(13-17)29-25(34-15-16-5-8-18(26)9-6-16)30(24(21)32)20-4-2-3-19(27)14-20/h2-10,13-14H,11-12,15H2,1H3,(H,28,31)