4-(1,3-dithian-2-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[4-[4-(m-tolyl)piperazino]butyl]benzamide Formula: C26H35N3OS2 MolecularWeight: 469.7056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C26H35N3OS2/c1-21-6-4-7-24(20-21)29-16-14-28(15-17-29)13-3-2-12-27-25(30)22-8-10-23(11-9-22)26-31-18-5-19-32-26/h4,6-11,20,26H,2-3,5,12-19H2,1H3,(H,27,30)