4-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)carbonylamino]butanoic acid Openeye Name: 4-[(1-methyl-2-thioxo-3H-benzimidazole-5-carbonyl)amino]butanoic acid CAS Name: 4-[[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(1-methyl-2-sulfanylidene-3H-benzimidazole-5-carbonyl)amino]butanoic acid Traditional Name: 4-[(1-methyl-2-thioxo-3H-benzimidazole-5-carbonyl)amino]butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)NC1=S

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)NC1=S

InChI

InChI=1S/C13H15N3O3S/c1-16-10-5-4-8(7-9(10)15-13(16)20)12(19)14-6-2-3-11(17)18/h4-5,7H,2-3,6H2,1H3,(H,14,19)(H,15,20)(H,17,18)