4-(1,3-dithian-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[2-(4-methyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[2-(4-methylpiperazino)phenyl]benzamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H27N3OS2/c1-24-11-13-25(14-12-24)20-6-3-2-5-19(20)23-21(26)17-7-9-18(10-8-17)22-27-15-4-16-28-22/h2-3,5-10,22H,4,11-16H2,1H3,(H,23,26)