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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-bromanyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-3-bromo-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-bromobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-3-bromo-benzamide Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H16BrN3O2S2/c1-28-18-10-9-14(21-24-16-7-2-3-8-19(16)30-21)12-17(18)25-22(29)26-20(27)13-5-4-6-15(23)11-13/h2-12H,1H3,(H2,25,26,27,29)