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

Systemtic Name: 3,6-bis(chloranyl)-N-[(2,3-dimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(2,3-dimethylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(2,3-dimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(2,3-dimethylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H14Cl2N2OS2 MolecularWeight: 409.35256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N2OS2/c1-9-4-3-5-13(10(9)2)21-18(24)22-17(23)16-15(20)12-7-6-11(19)8-14(12)25-16/h3-8H,1-2H3,(H2,21,22,23,24)