1-[4-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]methyl]phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[4-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]methyl]phenyl]piperidine-3-carboxamide Openeye Name: 1-[4-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide CAS Name: 1-[4-[[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[4-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide Traditional Name: 1-[4-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]phenyl]nipecotamide Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCCS4)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCCS4)C(=O)N

InChI

InChI=1S/C24H29N3O2S2/c25-22(28)20-3-1-12-27(16-20)21-10-4-17(5-11-21)15-26-23(29)18-6-8-19(9-7-18)24-30-13-2-14-31-24/h4-11,20,24H,1-3,12-16H2,(H2,25,28)(H,26,29)