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

Systemtic Name: 4-tert-butyl-N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C28H26N2O3S MolecularWeight: 470.58264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H26N2O3S/c1-17-9-10-19(22-15-20-7-5-6-8-24(20)33-26(22)32)16-23(17)29-27(34)30-25(31)18-11-13-21(14-12-18)28(2,3)4/h5-16H,1-4H3,(H2,29,30,31,34)