3-(5-methyl-1H-imidazol-4-yl)-2-[(phenylmethylsulfanyl)carbothioylamino]propanoic acid

Systemtic Name: 3-(5-methyl-1H-imidazol-4-yl)-2-[(phenylmethylsulfanyl)carbothioylamino]propanoic acid Openeye Name: 2-(benzylsulfanylcarbothioylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoic acid CAS Name: 3-(5-methyl-1H-imidazol-4-yl)-2-[[(phenylmethylthio)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-(benzylsulfanylcarbothioylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoic acid Traditional Name: 2-[(benzylthio)carbothioylamino]-3-(5-methyl-1H-imidazol-4-yl)propionic acid Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(C(=O)O)NC(=S)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(N=CN1)CC(C(=O)O)NC(=S)SCC2=CC=CC=C2

InChI

InChI=1S/C15H17N3O2S2/c1-10-12(17-9-16-10)7-13(14(19)20)18-15(21)22-8-11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3,(H,16,17)(H,18,21)(H,19,20)