4-[N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]benzoic acid

Systemtic Name: 4-[N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]benzoic acid Openeye Name: 4-[N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]benzoic acid CAS Name: 4-[amino-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylimino]methyl]benzoic acid IUPAC Name: 4-[N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]benzoic acid Traditional Name: 4-[N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]amidino]benzoic acid Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(C2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(C2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C15H18N4O2S/c1-10-13(19-9-18-10)8-22-7-6-17-14(16)11-2-4-12(5-3-11)15(20)21/h2-5,9H,6-8H2,1H3,(H2,16,17)(H,18,19)(H,20,21)