3-[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 3-[2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 3-[2-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 3-[2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 3-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 3-[2-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-(4-fluorobenzyl)propionamide Formula: C28H27FN4O5S MolecularWeight: 550.601183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C28H27FN4O5S/c1-37-20-11-12-23(24(15-20)38-2)31-26(35)17-39-28-32-22-6-4-3-5-21(22)27(36)33(28)14-13-25(34)30-16-18-7-9-19(29)10-8-18/h3-12,15H,13-14,16-17H2,1-2H3,(H,30,34)(H,31,35)