S-(4-methylpiperazin-1-yl) 2-[2-(4-fluorophenyl)-5,6-dimethyl-3-sulfanylidene-1H-isoindol-1-yl]ethanethioate

Systemtic Name: S-(4-methylpiperazin-1-yl) 2-[2-(4-fluorophenyl)-5,6-dimethyl-3-sulfanylidene-1H-isoindol-1-yl]ethanethioate Openeye Name: S-(4-methylpiperazin-1-yl) 2-[2-(4-fluorophenyl)-5,6-dimethyl-3-thioxo-isoindolin-1-yl]ethanethioate CAS Name: 2-[2-(4-fluorophenyl)-5,6-dimethyl-3-sulfanylidene-1H-isoindol-1-yl]ethanethioic acid S-(4-methyl-1-piperazinyl) ester IUPAC Name: S-(4-methylpiperazin-1-yl) 2-[2-(4-fluorophenyl)-5,6-dimethyl-3-sulfanylidene-1H-isoindol-1-yl]ethanethioate Traditional Name: 2-[2-(4-fluorophenyl)-5,6-dimethyl-3-thioxo-isoindolin-1-yl]ethanethioic acid S-(4-methylpiperazino) ester Formula: C23H26FN3OS2 MolecularWeight: 443.600443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(N(C2=S)C3=CC=C(C=C3)F)CC(=O)SN4CCN(CC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(N(C2=S)C3=CC=C(C=C3)F)CC(=O)SN4CCN(CC4)C)C

InChI

InChI=1S/C23H26FN3OS2/c1-15-12-19-20(13-16(15)2)23(29)27(18-6-4-17(24)5-7-18)21(19)14-22(28)30-26-10-8-25(3)9-11-26/h4-7,12-13,21H,8-11,14H2,1-3H3