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

Systemtic Name: N-[(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[(2R)-1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(2R)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2OC)C

InChI

InChI=1S/C21H30N4O3S/c1-15-14-16(2)25(24-15)12-7-11-22-21(27)18(10-13-29-4)23-20(26)17-8-5-6-9-19(17)28-3/h5-6,8-9,14,18H,7,10-13H2,1-4H3,(H,22,27)(H,23,26)/t18-/m1/s1