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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(3-fluorophenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C26H23ClFN3O2S MolecularWeight: 495.996123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H23ClFN3O2S/c1-16(2)14-29-24(32)18-9-10-22-23(12-18)30-26(34-15-17-5-3-6-19(27)11-17)31(25(22)33)21-8-4-7-20(28)13-21/h3-13,16H,14-15H2,1-2H3,(H,29,32)