S-phenacyl N-(4-methylpyridin-1-ium-1-yl)carbamothioate

Systemtic Name: S-phenacyl N-(4-methylpyridin-1-ium-1-yl)carbamothioate Openeye Name: S-phenacyl N-(4-methylpyridin-1-ium-1-yl)carbamothioate CAS Name: N-(4-methyl-1-pyridin-1-iumyl)carbamothioic acid S-phenacyl ester IUPAC Name: S-phenacyl N-(4-methylpyridin-1-ium-1-yl)carbamothioate Traditional Name: N-(4-methylpyridin-1-ium-1-yl)thiocarbamic acid S-phenacyl ester Formula: C15H15N2O2S+ MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)NC(=O)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=[N+](C=C1)NC(=O)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14N2O2S/c1-12-7-9-17(10-8-12)16-15(19)20-11-14(18)13-5-3-2-4-6-13/h2-10H,11H2,1H3/p+1