3-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C19H18BrN3O4S2 MolecularWeight: 496.39792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)Br

InChI

InChI=1S/C19H18BrN3O4S2/c1-4-27-13-6-5-10(7-12(13)20)17(24)22-18(28)23-19-21-16-14(26-3)8-11(25-2)9-15(16)29-19/h5-9H,4H2,1-3H3,(H2,21,22,23,24,28)