5-(4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)-5-oxidanyl-1,3-dithiolan-2-ylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)-5-oxidanyl-1,3-dithiolan-2-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[4-hydroxy-5-(4-methylpiperazin-1-yl)-1,3-dithiolan-2-ylidene]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[4-hydroxy-5-(4-methyl-1-piperazinyl)-1,3-dithiolan-2-ylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[4-hydroxy-5-(4-methylpiperazin-1-yl)-1,3-dithiolan-2-ylidene]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[4-hydroxy-5-(4-methylpiperazino)-1,3-dithiolan-2-ylidene]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(=C3SC(C(S3)O)N4CCN(CC4)C)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(=C3SC(C(S3)O)N4CCN(CC4)C)C(=O)C2

InChI

InChI=1S/C21H26N2O3S2/c1-13-3-5-14(6-4-13)15-11-16(24)18(17(25)12-15)21-27-19(20(26)28-21)23-9-7-22(2)8-10-23/h3-6,15,19-20,26H,7-12H2,1-2H3