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

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2-hydroxy-4-methyl-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H12Cl2N2O2S2 MolecularWeight: 411.32538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C17H12Cl2N2O2S2/c1-8-2-5-11(12(22)6-8)20-17(24)21-16(23)15-14(19)10-4-3-9(18)7-13(10)25-15/h2-7,22H,1H3,(H2,20,21,23,24)