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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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