N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC(=CC(=C4O3)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC(=CC(=C4O3)C)C

InChI

InChI=1S/C25H23N3O3S/c1-4-30-20-10-6-7-17(14-20)23(29)28-25(32)26-19-9-5-8-18(13-19)24-27-21-12-15(2)11-16(3)22(21)31-24/h5-14H,4H2,1-3H3,(H2,26,28,29,32)