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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H13BrClN3O3S2 MolecularWeight: 486.79042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)OC

InChI

InChI=1S/C17H13BrClN3O3S2/c1-24-9-6-12(25-2)14-13(7-9)27-17(20-14)22-16(26)21-15(23)10-5-8(18)3-4-11(10)19/h3-7H,1-2H3,(H2,20,21,22,23,26)