2-chloranyl-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H27ClN4O2S MolecularWeight: 422.97198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C20H27ClN4O2S/c1-14-13-15(2)25(24-14)11-6-10-22-20(27)18(9-12-28-3)23-19(26)16-7-4-5-8-17(16)21/h4-5,7-8,13,18H,6,9-12H2,1-3H3,(H,22,27)(H,23,26)