phenyl 2-azanyl-3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-oxidanylidene-propaneperoxoate

Systemtic Name: phenyl 2-azanyl-3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]-3-oxidanylidene-propaneperoxoate Openeye Name: phenyl 2-amino-3-(2-guanidino-4-methyl-thiazol-5-yl)-3-oxo-propaneperoxoate CAS Name: 2-amino-3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]-3-oxopropaneperoxoic acid phenyl ester IUPAC Name: phenyl 2-amino-3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]-3-oxopropaneperoxoate Traditional Name: 2-amino-3-(2-guanidino-4-methyl-thiazol-5-yl)-3-keto-peroxypropionic acid phenyl ester Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C(=O)OOC2=CC=CC=C2)N

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C(=O)C(C(=O)OOC2=CC=CC=C2)N

InChI

InChI=1S/C14H15N5O4S/c1-7-11(24-14(18-7)19-13(16)17)10(20)9(15)12(21)23-22-8-5-3-2-4-6-8/h2-6,9H,15H2,1H3,(H4,16,17,18,19)