(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-[[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]amino]methanol

Systemtic Name: (1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-[[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]amino]methanol Openeye Name: (1-oxido-4-oxo-quinoxalin-4-ium-2-yl)-[4-(thiazol-2-ylamino)sulfanylanilino]methanol CAS Name: 4-[[hydroxy-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl]amino]-N-(2-thiazolyl)benzenesulfenamide IUPAC Name: (1-oxido-4-oxoquinoxalin-4-ium-2-yl)-[4-(1,3-thiazol-2-ylamino)sulfanylanilino]methanol Traditional Name: (4-keto-1-oxido-quinoxalin-4-ium-2-yl)-[4-[(thiazol-2-ylamino)thio]anilino]methanol Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C[N+]2=O)C(NC3=CC=C(C=C3)SNC4=NC=CS4)O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C[N+]2=O)C(NC3=CC=C(C=C3)SNC4=NC=CS4)O)[O-]

InChI

InChI=1S/C18H15N5O3S2/c24-17(16-11-22(25)14-3-1-2-4-15(14)23(16)26)20-12-5-7-13(8-6-12)28-21-18-19-9-10-27-18/h1-11,17,20,24H,(H,19,21)