3-[4-[5-(4-carbamimidoylphenyl)-1-oxidanylidene-1,2,5-thiadiazolidin-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-oxidanylidene-1,2,5-thiadiazolidin-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-oxo-1,2,5-thiadiazolidin-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-oxo-1,2,5-thiadiazolidin-2-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-oxo-1,2,5-thiadiazolidin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1-keto-1,2,5-thiadiazolidin-2-yl]phenyl]propionic acid Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(S(=O)N1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(S(=O)N1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H20N4O3S/c19-18(20)14-4-8-16(9-5-14)22-12-11-21(26(22)25)15-6-1-13(2-7-15)3-10-17(23)24/h1-2,4-9H,3,10-12H2,(H3,19,20)(H,23,24)