N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[9,10-bis(oxidanylidene)anthracen-2-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(9,10-dioxo-2-anthryl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(9,10-dioxo-2-anthracenyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(9,10-diketo-2-anthryl)thiocarbamoyl]-4-nitro-benzamide Formula: C22H13N3O5S MolecularWeight: 431.42072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O5S/c26-19-15-3-1-2-4-16(15)20(27)18-11-13(7-10-17(18)19)23-22(31)24-21(28)12-5-8-14(9-6-12)25(29)30/h1-11H,(H2,23,24,28,31)