N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=C(S3)C)C)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=C(S3)C)C)C#N)C)C

InChI

InChI=1S/C22H23N3OS2/c1-12-8-14(3)21-17(9-12)13(2)10-20(25-21)27-7-6-19(26)24-22-18(11-23)15(4)16(5)28-22/h8-10H,6-7H2,1-5H3,(H,24,26)