S-[3-(2-methylphenyl)-2-(pyridin-4-ylcarbonylamino)propyl] ethanethioate

Systemtic Name: S-[3-(2-methylphenyl)-2-(pyridin-4-ylcarbonylamino)propyl] ethanethioate Openeye Name: S-[3-(o-tolyl)-2-(pyridine-4-carbonylamino)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(2-methylphenyl)-2-[[oxo(pyridin-4-yl)methyl]amino]propyl] ester IUPAC Name: S-[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-isonicotinamido-3-(o-tolyl)propyl] ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H20N2O2S/c1-13-5-3-4-6-16(13)11-17(12-23-14(2)21)20-18(22)15-7-9-19-10-8-15/h3-10,17H,11-12H2,1-2H3,(H,20,22)