7-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-3-methyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbonyl]-3-methyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbonyl]-3-methyl-2-thioxo-1H-quinazolin-4-one Formula: C21H20ClFN4O2S MolecularWeight: 446.925503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=C(C=C4)F)Cl)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=C(C=C4)F)Cl)NC1=S

InChI

InChI=1S/C21H20ClFN4O2S/c1-25-20(29)16-5-3-13(10-18(16)24-21(25)30)19(28)27-8-6-26(7-9-27)12-14-2-4-15(23)11-17(14)22/h2-5,10-11H,6-9,12H2,1H3,(H,24,30)