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

Systemtic Name: N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C20H28N4O2S/c1-15-14-16(2)24(23-15)12-7-11-21-20(26)18(10-13-27-3)22-19(25)17-8-5-4-6-9-17/h4-6,8-9,14,18H,7,10-13H2,1-3H3,(H,21,26)(H,22,25)/t18-/m0/s1