N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H23N3O4S/c1-4-15-5-12-21-20(13-15)27-24(32-21)16-6-8-17(9-7-16)26-25(33)28-23(29)19-11-10-18(30-2)14-22(19)31-3/h5-14H,4H2,1-3H3,(H2,26,28,29,33)