1-[[(1Z)-2-(1,3-benzodioxol-5-yl)-1-(6-nitro-3-oxidanylidene-quinoxalin-2-ylidene)-2-oxidanyl-ethyl]amino]thiourea

Systemtic Name: 1-[[(1Z)-2-(1,3-benzodioxol-5-yl)-1-(6-nitro-3-oxidanylidene-quinoxalin-2-ylidene)-2-oxidanyl-ethyl]amino]thiourea Openeye Name: [[(1Z)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-(6-nitro-3-oxo-quinoxalin-2-ylidene)ethyl]amino]thiourea CAS Name: [[(1Z)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-(6-nitro-3-oxo-2-quinoxalinylidene)ethyl]amino]thiourea IUPAC Name: [[(1Z)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-(6-nitro-3-oxoquinoxalin-2-ylidene)ethyl]amino]thiourea Traditional Name: [[(1Z)-2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-(3-keto-6-nitro-quinoxalin-2-ylidene)ethyl]amino]thiourea Formula: C18H14N6O6S MolecularWeight: 442.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=C3C(=O)N=C4C=C(C=CC4=N3)[N+](=O)[O-])NNC(=S)N)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(/C(=C/3\C(=O)N=C4C=C(C=CC4=N3)[N+](=O)[O-])/NNC(=S)N)O

InChI

InChI=1S/C18H14N6O6S/c19-18(31)23-22-14(16(25)8-1-4-12-13(5-8)30-7-29-12)15-17(26)21-11-6-9(24(27)28)2-3-10(11)20-15/h1-6,16,22,25H,7H2,(H3,19,23,31)/b15-14-