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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-2-[(4-fluorobenzyl)thio]-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(C)C)N=C2SCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H26FN3O2S/c1-16(2)29-25(32)20-7-10-23-24(14-20)30-27(34-15-19-5-8-21(28)9-6-19)31(26(23)33)22-12-17(3)11-18(4)13-22/h5-14,16H,15H2,1-4H3,(H,29,32)