4-ethyl-N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-ethyl-N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[3-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[3-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H20N2O3S/c1-2-16-10-12-17(13-11-16)23(28)27-25(31)26-20-8-5-7-18(14-20)21-15-19-6-3-4-9-22(19)30-24(21)29/h3-15H,2H2,1H3,(H2,26,27,28,31)