(2E)-6-ethanoyl-N-[[(4-nitrophenyl)amino]carbamothioyl]-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinoline-4-carboxamide

Systemtic Name: (2E)-6-ethanoyl-N-[[(4-nitrophenyl)amino]carbamothioyl]-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinoline-4-carboxamide Openeye Name: (2E)-6-acetyl-N-[(4-nitroanilino)carbamothioyl]-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinoline-4-carboxamide CAS Name: (2E)-6-acetyl-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinoline-4-carboxamide IUPAC Name: (2E)-6-acetyl-N-[(4-nitroanilino)carbamothioyl]-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinoline-4-carboxamide Traditional Name: (2E)-6-acetyl-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[(4-nitroanilino)thiocarbamoyl]-1H-quinoline-4-carboxamide Formula: C25H19N5O5S MolecularWeight: 501.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)NC(=C3C=CC=CC3=O)C=C2C(=O)NC(=S)NNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N/C(=C/3\C=CC=CC3=O)/C=C2C(=O)NC(=S)NNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O5S/c1-14(31)15-6-11-21-19(12-15)20(13-22(26-21)18-4-2-3-5-23(18)32)24(33)27-25(36)29-28-16-7-9-17(10-8-16)30(34)35/h2-13,26,28H,1H3,(H2,27,29,33,36)/b22-18+