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

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(3-phenylprop-2-ynylamino)butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-(3-phenylprop-2-ynylcarbamoyl)propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-(3-phenylprop-2-ynylamino)butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-(3-phenylprop-2-ynylamino)butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-(3-phenylprop-2-ynylcarbamoyl)propyl]benzamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC#CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCCC(C(=O)NCC#CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-27-15-13-19(24-20(25)17-11-5-6-12-18(17)22)21(26)23-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,19H,13-15H2,1H3,(H,23,26)(H,24,25)