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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=NC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=NC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

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