N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC(=CC(=C4O3)C)C

InChI

InChI=1S/C29H31N3O5S/c1-6-34-23-15-20(16-24(35-7-2)26(23)36-8-3)27(33)32-29(38)30-21-11-9-19(10-12-21)28-31-22-14-17(4)13-18(5)25(22)37-28/h9-16H,6-8H2,1-5H3,(H2,30,32,33,38)