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

Systemtic Name: 3-chloranyl-N-[(2,4-dimethylphenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2,4-dimethylanilino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2,4-dimethylphenyl)thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

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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)OC)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S2/c1-10-4-7-14(11(2)8-10)21-19(25)22-18(23)17-16(20)13-6-5-12(24-3)9-15(13)26-17/h4-9H,1-3H3,(H2,21,22,23,25)