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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C17H12Cl3N3O2S2 MolecularWeight: 460.78508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)Cl

InChI

InChI=1S/C17H12Cl3N3O2S2/c1-2-25-11-5-3-8(7-10(11)19)15(24)22-16(26)23-17-21-14-12(27-17)6-4-9(18)13(14)20/h3-7H,2H2,1H3,(H2,21,22,23,24,26)