(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2S/c1-12-5-6-15(8-16(12)19)25-11-17(22-13(2)23)18(24)21-10-14-4-3-7-20-9-14/h3-9,17H,10-11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1