3-(3-chloranyl-4-fluoranyl-phenyl)-N-(2,3-dimethylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(2,3-dimethylcyclohexyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-N-(2,3-dimethylcyclohexyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H23ClFN3O2S MolecularWeight: 459.964023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H23ClFN3O2S/c1-12-4-3-5-19(13(12)2)26-21(29)14-6-8-16-20(10-14)27-23(31)28(22(16)30)15-7-9-18(25)17(24)11-15/h6-13,19H,3-5H2,1-2H3,(H,26,29)(H,27,31)