2-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]ethylsulfanyl]acetic acid CAS Name: 2-[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]ethylthio]acetic acid IUPAC Name: 2-[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]ethylsulfanyl]acetic acid Traditional Name: 2-[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]ethylthio]acetic acid Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCSCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)N1CCSCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C14H18N4O3S/c15-13(16)10-1-3-11(4-2-10)18-6-5-17(14(18)21)7-8-22-9-12(19)20/h1-4H,5-9H2,(H3,15,16)(H,19,20)