(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbodithioate

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbodithioate Openeye Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbodithioate CAS Name: 4-[bis(4-fluorophenyl)methyl]-1-piperazinecarbodithioic acid (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl ester IUPAC Name: (2-methyl-4-oxo-1H-quinazolin-6-yl)methyl 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbodithioate Traditional Name: 4-[bis(4-fluorophenyl)methyl]piperazine-1-carbodithioic acid (4-keto-2-methyl-1H-quinazolin-6-yl)methyl ester Formula: C28H26F2N4OS2 MolecularWeight: 536.659046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CSC(=S)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26F2N4OS2/c1-18-31-25-11-2-19(16-24(25)27(35)32-18)17-37-28(36)34-14-12-33(13-15-34)26(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h2-11,16,26H,12-15,17H2,1H3,(H,31,32,35)