2,4-bis(chloranyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide Openeye Name: 2,4-dichloro-N-[(1S)-3-methylsulfanyl-1-(2-pyridylmethylcarbamoyl)propyl]benzamide CAS Name: 2,4-dichloro-N-[(2S)-4-(methylthio)-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide Traditional Name: 2,4-dichloro-N-[(1S)-3-(methylthio)-1-(2-pyridylmethylcarbamoyl)propyl]benzamide Formula: C18H19Cl2N3O2S MolecularWeight: 412.33336

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=N1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O2S/c1-26-9-7-16(18(25)22-11-13-4-2-3-8-21-13)23-17(24)14-6-5-12(19)10-15(14)20/h2-6,8,10,16H,7,9,11H2,1H3,(H,22,25)(H,23,24)/t16-/m0/s1