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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C23H19N3O4S MolecularWeight: 433.47966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H19N3O4S/c1-28-19-11-10-14(13-20(19)29-2)21(27)26-23(31)24-16-7-5-6-15(12-16)22-25-17-8-3-4-9-18(17)30-22/h3-13H,1-2H3,(H2,24,26,27,31)