3,6-bis(chloranyl)-N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H13Cl3N2O3S2 MolecularWeight: 475.79642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)OC)Cl

InChI

InChI=1S/C18H13Cl3N2O3S2/c1-25-12-7-11(13(26-2)6-10(12)20)22-18(27)23-17(24)16-15(21)9-4-3-8(19)5-14(9)28-16/h3-7H,1-2H3,(H2,22,23,24,27)