N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O5S/c1-29-20-10-8-15(12-21(20)30-2)23-26-18-13-16(9-11-19(18)32-23)25-24(33)27-22(28)14-31-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,25,27,28,33)