(2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(p-tolylsulfanyl)-N-(2-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-methylphenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-(p-tolylthio)-N-(2-pyridylmethyl)propionamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCC2=CC=CC=N2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCC2=CC=CC=N2)NC(=O)C

InChI

InChI=1S/C18H21N3O2S/c1-13-6-8-16(9-7-13)24-12-17(21-14(2)22)18(23)20-11-15-5-3-4-10-19-15/h3-10,17H,11-12H2,1-2H3,(H,20,23)(H,21,22)/t17-/m1/s1