1-[[1-[4-cyclohexyl-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrol-3-yl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[1-[4-cyclohexyl-7-nitro-2,3-bis(oxidanylidene)-1H-quinoxalin-6-yl]pyrrol-3-yl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-3-phenyl-thiourea CAS Name: 1-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)-3-pyrrolyl]methyl]-3-phenylthiourea IUPAC Name: 1-[[1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-3-phenylthiourea Traditional Name: 1-[[1-(4-cyclohexyl-2,3-diketo-7-nitro-1H-quinoxalin-6-yl)pyrrol-3-yl]methyl]-3-phenyl-thiourea Formula: C26H26N6O4S MolecularWeight: 518.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CC(=C4)CNC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=CC(=C(C=C3NC(=O)C2=O)[N+](=O)[O-])N4C=CC(=C4)CNC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O4S/c33-24-25(34)31(19-9-5-2-6-10-19)21-14-22(23(32(35)36)13-20(21)29-24)30-12-11-17(16-30)15-27-26(37)28-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,29,33)(H2,27,28,37)