N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C#N)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C#N)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C22H23N3OS2/c1-6-18(21(26)25-22-17(11-23)14(4)15(5)27-22)28-19-10-13(3)16-9-7-8-12(2)20(16)24-19/h7-10,18H,6H2,1-5H3,(H,25,26)