3-chloranyl-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-6-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-6-methyl-benzothiophene-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C)Cl)C#N)C

InChI

InChI=1S/C21H20ClN3O2S2/c1-5-25(6-2)21(27)17-12(4)14(10-23)20(29-17)24-19(26)18-16(22)13-8-7-11(3)9-15(13)28-18/h7-9H,5-6H2,1-4H3,(H,24,26)