N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)OC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)OC

InChI

InChI=1S/C25H23N3O4S/c1-3-12-31-20-9-5-6-16(14-20)23(29)28-25(33)26-18-8-4-7-17(13-18)24-27-21-15-19(30-2)10-11-22(21)32-24/h4-11,13-15H,3,12H2,1-2H3,(H2,26,28,29,33)