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

Systemtic Name: (2Z)-6-ethanoyl-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-N-[(2-methylphenyl)carbamothioyl]-1H-quinoline-4-carboxamide Openeye Name: (2Z)-6-acetyl-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(o-tolylcarbamothioyl)-1H-quinoline-4-carboxamide CAS Name: (2Z)-6-acetyl-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(2-methylanilino)-sulfanylidenemethyl]-1H-quinoline-4-carboxamide IUPAC Name: (2Z)-6-acetyl-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(2-methylphenyl)carbamothioyl]-1H-quinoline-4-carboxamide Traditional Name: (2Z)-6-acetyl-2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-N-(o-tolylthiocarbamoyl)-1H-quinoline-4-carboxamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C3C=CC(=O)C(=C3)OC)NC4=C2C=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=C/C(=C/3\C=CC(=O)C(=C3)OC)/NC4=C2C=C(C=C4)C(=O)C

InChI

InChI=1S/C27H23N3O4S/c1-15-6-4-5-7-21(15)29-27(35)30-26(33)20-14-23(18-9-11-24(32)25(13-18)34-3)28-22-10-8-17(16(2)31)12-19(20)22/h4-14,28H,1-3H3,(H2,29,30,33,35)/b23-18-