4,6-dimethyl-2-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-nicotinamide Formula: C18H23N4O2S2+ MolecularWeight: 391.53082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C(=O)N)C

InChI

InChI=1S/C18H22N4O2S2/c1-12-10-13(2)22(18(25)15(12)16(19)23)11-20-5-7-21(8-6-20)17(24)14-4-3-9-26-14/h3-4,9-10H,5-8,11H2,1-2H3,(H2,19,23)/p+1