3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]benzoic acid CAS Name: 3-[[[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(diaminomethylideneamino)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[(2-guanidino-4-methyl-thiazole-5-carbonyl)amino]benzoic acid Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H13N5O3S/c1-6-9(22-13(16-6)18-12(14)15)10(19)17-8-4-2-3-7(5-8)11(20)21/h2-5H,1H3,(H,17,19)(H,20,21)(H4,14,15,16,18)