1-[4-(1,3-dithiolan-2-yl)phenyl]carbonyl-N-(3-methylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-(1,3-dithiolan-2-yl)phenyl]carbonyl-N-(3-methylbutyl)piperidine-4-carboxamide Openeye Name: 1-[4-(1,3-dithiolan-2-yl)benzoyl]-N-isopentyl-piperidine-4-carboxamide CAS Name: 1-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-N-(3-methylbutyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(1,3-dithiolan-2-yl)benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide Traditional Name: 1-[4-(1,3-dithiolan-2-yl)benzoyl]-N-isoamyl-isonipecotamide Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H30N2O2S2/c1-15(2)7-10-22-19(24)16-8-11-23(12-9-16)20(25)17-3-5-18(6-4-17)21-26-13-14-27-21/h3-6,15-16,21H,7-14H2,1-2H3,(H,22,24)