4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]propanoylamino]benzoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-9(21-14-15-7-8-17(14)2)12(18)16-11-5-3-10(4-6-11)13(19)20/h3-9H,1-2H3,(H,16,18)(H,19,20)