2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3-fluorophenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C28H28FN3O2S MolecularWeight: 489.604223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2C4=CC(=CC=C4)F

InChI

InChI=1S/C28H28FN3O2S/c1-17(2)15-30-26(33)20-10-11-24-25(13-20)31-28(35-16-21-12-18(3)8-9-19(21)4)32(27(24)34)23-7-5-6-22(29)14-23/h5-14,17H,15-16H2,1-4H3,(H,30,33)