3,6-bis(chloranyl)-N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H11Cl3N2O2S2 MolecularWeight: 445.77044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C17H11Cl3N2O2S2/c1-24-12-5-3-9(7-11(12)19)21-17(25)22-16(23)15-14(20)10-4-2-8(18)6-13(10)26-15/h2-7H,1H3,(H2,21,22,23,25)