4-[2-[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[1-cyclopropyl-5-(hydroxymethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[1-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-cyclopropyl-5-methylol-imidazol-2-yl)thio]acetyl]amino]benzamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)CO

Isomeric SMILES

C1CC1N2C(=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)CO

InChI

InChI=1S/C16H18N4O3S/c17-15(23)10-1-3-11(4-2-10)19-14(22)9-24-16-18-7-13(8-21)20(16)12-5-6-12/h1-4,7,12,21H,5-6,8-9H2,(H2,17,23)(H,19,22)