3-butoxy-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C28H26N2O5S/c1-3-4-14-34-21-10-7-9-20(15-21)26(31)30-28(36)29-23-17-18(12-13-25(23)33-2)22-16-19-8-5-6-11-24(19)35-27(22)32/h5-13,15-17H,3-4,14H2,1-2H3,(H2,29,30,31,36)