phenyl 2-azanyl-3-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-5-yl]-3-oxidanylidene-propaneperoxoate

Systemtic Name: phenyl 2-azanyl-3-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-5-yl]-3-oxidanylidene-propaneperoxoate Openeye Name: phenyl 2-amino-3-(2-guanidinothiazol-5-yl)-3-oxo-propaneperoxoate CAS Name: 2-amino-3-[2-(diaminomethylideneamino)-5-thiazolyl]-3-oxopropaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-amino-3-[2-(diaminomethylideneamino)-1,3-thiazol-5-yl]-3-oxopropaneperoxoate Traditional Name: 2-amino-3-(2-guanidinothiazol-5-yl)-3-keto-peroxypropionic acid phenyl ester Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OOC(=O)C(C(=O)C2=CN=C(S2)N=C(N)N)N

Isomeric SMILES

C1=CC=C(C=C1)OOC(=O)C(C(=O)C2=CN=C(S2)N=C(N)N)N

InChI

InChI=1S/C13H13N5O4S/c14-9(11(20)22-21-7-4-2-1-3-5-7)10(19)8-6-17-13(23-8)18-12(15)16/h1-6,9H,14H2,(H4,15,16,17,18)