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

Systemtic Name: 3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-isopropyl-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(3-methylphenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-isopropyl-4-keto-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O2S/c1-16(2)28-24(31)19-10-11-22-23(13-19)29-26(33-15-18-7-4-6-17(3)12-18)30(25(22)32)21-9-5-8-20(27)14-21/h4-14,16H,15H2,1-3H3,(H,28,31)