4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-prop-2-ynyl-benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-prop-2-ynyl-benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-prop-2-ynyl-benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-prop-2-ynylbenzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-prop-2-ynylbenzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-propargyl-benzamide Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC#C

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC#C

InChI

InChI=1S/C16H16N4O2S/c1-3-8-17-15(22)12-4-6-13(7-5-12)19-14(21)11-23-16-18-9-10-20(16)2/h1,4-7,9-10H,8,11H2,2H3,(H,17,22)(H,19,21)