2-bromanyl-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-(4-methylpiperazin-1-yl)-5-phenyl-thiomorpholin-3-one

Systemtic Name: 2-bromanyl-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-(4-methylpiperazin-1-yl)-5-phenyl-thiomorpholin-3-one Openeye Name: 2-bromo-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-(4-methylpiperazin-1-yl)-5-phenyl-thiomorpholin-3-one CAS Name: 2-bromo-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-(4-methyl-1-piperazinyl)-5-phenyl-3-thiomorpholinone IUPAC Name: 2-bromo-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-(4-methylpiperazin-1-yl)-5-phenylthiomorpholin-3-one Traditional Name: 2-bromo-4-(3,4-dichlorophenyl)-2-methylol-6-(4-methylpiperazino)-5-phenyl-thiomorpholin-3-one Formula: C22H24BrCl2N3O2S MolecularWeight: 545.31986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2C(N(C(=O)C(S2)(CO)Br)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2C(N(C(=O)C(S2)(CO)Br)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H24BrCl2N3O2S/c1-26-9-11-27(12-10-26)20-19(15-5-3-2-4-6-15)28(21(30)22(23,14-29)31-20)16-7-8-17(24)18(25)13-16/h2-8,13,19-20,29H,9-12,14H2,1H3