2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-(3-pyrazol-1-ylpropylcarbamoyl)propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[3-(1-pyrazolyl)propylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-(3-pyrazol-1-ylpropylcarbamoyl)propyl]benzamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCN1C=CC=N1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCCC(C(=O)NCCCN1C=CC=N1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H23ClN4O2S/c1-26-13-8-16(22-17(24)14-6-2-3-7-15(14)19)18(25)20-9-4-11-23-12-5-10-21-23/h2-3,5-7,10,12,16H,4,8-9,11,13H2,1H3,(H,20,25)(H,22,24)