4-tert-butyl-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C28H26N2O4S MolecularWeight: 486.58204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O4S/c1-28(2,3)20-12-9-17(10-13-20)25(31)30-27(35)29-22-16-18(11-14-24(22)33-4)21-15-19-7-5-6-8-23(19)34-26(21)32/h5-16H,1-4H3,(H2,29,30,31,35)