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

Systemtic Name: N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C31H24N2O5S MolecularWeight: 536.59766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C31H24N2O5S/c1-36-28-18-23(13-16-25(28)26-17-22-9-5-6-10-27(22)38-30(26)35)32-31(39)33-29(34)21-11-14-24(15-12-21)37-19-20-7-3-2-4-8-20/h2-18H,19H2,1H3,(H2,32,33,34,39)