2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-[4-(4-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]methyl]-1H-quinazolin-4-one Formula: C21H21FN4O4S2 MolecularWeight: 476.544243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O4S2/c22-15-5-7-16(8-6-15)32(29,30)26-11-9-25(10-12-26)20(27)14-31-13-19-23-18-4-2-1-3-17(18)21(28)24-19/h1-8H,9-14H2,(H,23,24,28)