3-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(1-methylimidazol-2-yl)thio]butanoylamino]benzoic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC=CN2C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC=CN2C

InChI

InChI=1S/C15H17N3O3S/c1-3-12(22-15-16-7-8-18(15)2)13(19)17-11-6-4-5-10(9-11)14(20)21/h4-9,12H,3H2,1-2H3,(H,17,19)(H,20,21)