2,4-bis(chloranyl)-N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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