12-nitro-3-[N'-(3-nitrophenyl)carbamimidoyl]-12H-benzo[a]thioxanthene-4-carboxamide

Systemtic Name: 12-nitro-3-[N'-(3-nitrophenyl)carbamimidoyl]-12H-benzo[a]thioxanthene-4-carboxamide Openeye Name: 12-nitro-3-[N'-(3-nitrophenyl)carbamimidoyl]-12H-benzo[a]thioxanthene-4-carboxamide CAS Name: 3-[amino-(3-nitrophenyl)iminomethyl]-12-nitro-12H-benzo[a]thioxanthene-4-carboxamide IUPAC Name: 12-nitro-3-[N'-(3-nitrophenyl)carbamimidoyl]-12H-benzo[a]thioxanthene-4-carboxamide Traditional Name: 12-nitro-3-[N'-(3-nitrophenyl)amidino]-12H-benzo[a]thioxanthene-4-carboxamide Formula: C25H17N5O5S MolecularWeight: 499.49798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=C(S2)C=CC4=C3C=CC(=C4C(=O)N)C(=NC5=CC(=CC=C5)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=C(S2)C=CC4=C3C=CC(=C4C(=O)N)C(=NC5=CC(=CC=C5)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C25H17N5O5S/c26-24(28-13-4-3-5-14(12-13)29(32)33)18-9-8-16-15(21(18)25(27)31)10-11-20-22(16)23(30(34)35)17-6-1-2-7-19(17)36-20/h1-12,23H,(H2,26,28)(H2,27,31)