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

Systemtic Name: (2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-propan-2-ylphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-(p-cumenylthio)-N-(3-pyridylmethyl)propionamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-14(2)17-6-8-18(9-7-17)26-13-19(23-15(3)24)20(25)22-12-16-5-4-10-21-11-16/h4-11,14,19H,12-13H2,1-3H3,(H,22,25)(H,23,24)/t19-/m1/s1