ethyl 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H18BrN3O4S2 MolecularWeight: 508.40862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC)Br

InChI

InChI=1S/C20H18BrN3O4S2/c1-3-27-15-8-6-11(9-13(15)21)17(25)23-19(29)24-20-22-14-7-5-12(10-16(14)30-20)18(26)28-4-2/h5-10H,3-4H2,1-2H3,(H2,22,23,24,25,29)