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

Systemtic Name: 3-chloranyl-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N)C

InChI

InChI=1S/C20H18ClN3O2S2/c1-4-24(5-2)20(26)16-11(3)13(10-22)19(28-16)23-18(25)17-15(21)12-8-6-7-9-14(12)27-17/h6-9H,4-5H2,1-3H3,(H,23,25)