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

Systemtic Name: 3,6-bis(chloranyl)-N-[(4,5-dimethyl-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-hydroxy-4,5-dimethyl-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2-hydroxy-4,5-dimethylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-hydroxy-4,5-dimethyl-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H14Cl2N2O2S2 MolecularWeight: 425.35196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)O)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O2S2/c1-8-5-12(13(23)6-9(8)2)21-18(25)22-17(24)16-15(20)11-4-3-10(19)7-14(11)26-16/h3-7,23H,1-2H3,(H2,21,22,24,25)