methyl 2-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[1-[(4-fluorophenyl)carbamoyl]propylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[1-(4-fluoroanilino)-1-oxobutan-2-yl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[1-[(4-fluorophenyl)carbamoyl]propylthio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H22FN3O4S MolecularWeight: 491.533983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C26H22FN3O4S/c1-3-22(23(31)28-18-12-10-17(27)11-13-18)35-26-29-21-15-16(25(33)34-2)9-14-20(21)24(32)30(26)19-7-5-4-6-8-19/h4-15,22H,3H2,1-2H3,(H,28,31)