3-(4-chlorophenyl)-4-cyano-N-[3-(dimethylamino)propyl]-5-(2-methylpropylsulfanyl)thiophene-2-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-4-cyano-N-[3-(dimethylamino)propyl]-5-(2-methylpropylsulfanyl)thiophene-2-carboxamide Openeye Name: 3-(4-chlorophenyl)-4-cyano-N-[3-(dimethylamino)propyl]-5-isobutylsulfanyl-thiophene-2-carboxamide CAS Name: 3-(4-chlorophenyl)-4-cyano-N-[3-(dimethylamino)propyl]-5-(2-methylpropylthio)-2-thiophenecarboxamide IUPAC Name: 3-(4-chlorophenyl)-4-cyano-N-[3-(dimethylamino)propyl]-5-(2-methylpropylsulfanyl)thiophene-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-cyano-N-[3-(dimethylamino)propyl]-5-(isobutylthio)thiophene-2-carboxamide Formula: C21H26ClN3OS2 MolecularWeight: 436.03364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C(=C(S1)C(=O)NCCCN(C)C)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)CSC1=C(C(=C(S1)C(=O)NCCCN(C)C)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C21H26ClN3OS2/c1-14(2)13-27-21-17(12-23)18(15-6-8-16(22)9-7-15)19(28-21)20(26)24-10-5-11-25(3)4/h6-9,14H,5,10-11,13H2,1-4H3,(H,24,26)