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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C22H15BrClN3O2S2 MolecularWeight: 532.8604

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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=C(C=CC(=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrClN3O2S2/c1-29-18-9-6-12(21-25-16-4-2-3-5-19(16)31-21)10-17(18)26-22(30)27-20(28)14-11-13(23)7-8-15(14)24/h2-11H,1H3,(H2,26,27,28,30)