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

Systemtic Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-isobutyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-isobutyl-4-keto-2-(m-anisylthio)quinazoline-7-carboxamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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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)OC)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)OC)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H26FN3O3S/c1-17(2)15-29-25(32)19-10-11-23-24(13-19)30-27(35-16-18-6-4-9-22(12-18)34-3)31(26(23)33)21-8-5-7-20(28)14-21/h4-14,17H,15-16H2,1-3H3,(H,29,32)