N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C)C

InChI

InChI=1S/C21H26N6O2S/c1-15-13-16(2)27(25-15)11-4-9-22-20(29)17-5-7-18(8-6-17)24-19(28)14-30-21-23-10-12-26(21)3/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,22,29)(H,24,28)