2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C25H21ClFN3O3S MolecularWeight: 497.968943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21ClFN3O3S/c1-15-3-10-22(33-2)21(11-15)30-24(32)19-9-6-17(26)12-20(19)29-25(30)34-14-23(31)28-13-16-4-7-18(27)8-5-16/h3-12H,13-14H2,1-2H3,(H,28,31)