N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C24H21N3O5S MolecularWeight: 463.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H21N3O5S/c1-29-18-10-9-15(23-25-16-6-4-5-7-19(16)32-23)12-17(18)26-24(33)27-22(28)14-8-11-20(30-2)21(13-14)31-3/h4-13H,1-3H3,(H2,26,27,28,33)