1-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[4-(3-chlorobenzyl)piperazino]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1CN2CCN(CC2)CC3=CC(=CC=C3)Cl)C(=O)N)C

InChI

InChI=1S/C20H25ClN4OS/c1-14-10-15(2)25(20(27)18(14)19(22)26)13-24-8-6-23(7-9-24)12-16-4-3-5-17(21)11-16/h3-5,10-11H,6-9,12-13H2,1-2H3,(H2,22,26)