(2Z)-6-ethanoyl-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-(phenylcarbamothioyl)-1H-quinoline-4-carboxamide

Systemtic Name: (2Z)-6-ethanoyl-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-(phenylcarbamothioyl)-1H-quinoline-4-carboxamide Openeye Name: (2Z)-6-acetyl-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(phenylcarbamothioyl)-1H-quinoline-4-carboxamide CAS Name: (2Z)-6-acetyl-N-[anilino(sulfanylidene)methyl]-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-4-carboxamide IUPAC Name: (2Z)-6-acetyl-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-(phenylcarbamothioyl)-1H-quinoline-4-carboxamide Traditional Name: (2Z)-6-acetyl-2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-N-(phenylthiocarbamoyl)-1H-quinoline-4-carboxamide Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)NC(=C3C=CC(=O)C(=C3)OC)C=C2C(=O)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N/C(=C\3/C=CC(=O)C(=C3)OC)/C=C2C(=O)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4S/c1-15(30)16-8-10-21-19(12-16)20(25(32)29-26(34)27-18-6-4-3-5-7-18)14-22(28-21)17-9-11-23(31)24(13-17)33-2/h3-14,28H,1-2H3,(H2,27,29,32,34)/b22-17-