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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCC2=CN=CC=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCC2=CN=CC=C2)NC(=O)C

InChI

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