2-[2-[2-[bis(azanyl)methylideneamino]-4-phenyl-1,3-thiazol-5-yl]-2-oxidanylidene-1-piperidin-3-yl-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[2-[bis(azanyl)methylideneamino]-4-phenyl-1,3-thiazol-5-yl]-2-oxidanylidene-1-piperidin-3-yl-ethoxy]ethanoic acid Openeye Name: 2-[2-(2-guanidino-4-phenyl-thiazol-5-yl)-2-oxo-1-(3-piperidyl)ethoxy]acetic acid CAS Name: 2-[2-[2-(diaminomethylideneamino)-4-phenyl-5-thiazolyl]-2-oxo-1-(3-piperidinyl)ethoxy]acetic acid IUPAC Name: 2-[2-[2-(diaminomethylideneamino)-4-phenyl-1,3-thiazol-5-yl]-2-oxo-1-piperidin-3-ylethoxy]acetic acid Traditional Name: 2-[2-(2-guanidino-4-phenyl-thiazol-5-yl)-2-keto-1-(3-piperidyl)ethoxy]acetic acid Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=O)C2=C(N=C(S2)N=C(N)N)C3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

C1CC(CNC1)C(C(=O)C2=C(N=C(S2)N=C(N)N)C3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C19H23N5O4S/c20-18(21)24-19-23-14(11-5-2-1-3-6-11)17(29-19)15(27)16(28-10-13(25)26)12-7-4-8-22-9-12/h1-3,5-6,12,16,22H,4,7-10H2,(H,25,26)(H4,20,21,23,24)