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

Systemtic Name: N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C24H20BrN3O5S MolecularWeight: 542.4017

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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)C4=CC(=CC(=C4)OC)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN3O5S/c1-30-16-8-14(9-17(12-16)31-2)22(29)28-24(34)26-15-5-7-21-19(11-15)27-23(33-21)13-4-6-20(32-3)18(25)10-13/h4-12H,1-3H3,(H2,26,28,29,34)