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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C17H13Cl2N3O3S2 MolecularWeight: 442.33942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)OC

InChI

InChI=1S/C17H13Cl2N3O3S2/c1-24-8-3-4-9(11(7-8)25-2)15(23)21-16(26)22-17-20-14-12(27-17)6-5-10(18)13(14)19/h3-7H,1-2H3,(H2,20,21,22,23,26)