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

Systemtic Name: 3-chloranyl-6-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(mesitylthiocarbamoyl)-6-methoxy-benzothiophene-2-carboxamide Formula: C20H19ClN2O2S2 MolecularWeight: 418.96006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2S2/c1-10-7-11(2)17(12(3)8-10)22-20(26)23-19(24)18-16(21)14-6-5-13(25-4)9-15(14)27-18/h5-9H,1-4H3,(H2,22,23,24,26)