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

Systemtic Name: N-[[2-chloranyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C28H28ClN3O5S MolecularWeight: 554.05702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C)Cl

InChI

InChI=1S/C28H28ClN3O5S/c1-5-34-23-14-18(15-24(35-6-2)25(23)36-7-3)26(33)32-28(38)31-20-13-17(9-10-19(20)29)27-30-21-12-16(4)8-11-22(21)37-27/h8-15H,5-7H2,1-4H3,(H2,31,32,33,38)