3-bromanyl-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H20BrN3O4S2 MolecularWeight: 522.4352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)Br

InChI

InChI=1S/C21H20BrN3O4S2/c1-4-29-16-7-6-13(9-14(16)22)19(26)24-20(30)25-21-23-15(11-31-21)12-5-8-17(27-2)18(10-12)28-3/h5-11H,4H2,1-3H3,(H2,23,24,25,26,30)