N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C#N)C)C

InChI

InChI=1S/C27H25N3O2S2/c1-16-11-18(3)26-21(12-16)17(2)13-25(30-26)33-10-9-24(31)29-27-22(14-28)23(15-34-27)19-5-7-20(32-4)8-6-19/h5-8,11-13,15H,9-10H2,1-4H3,(H,29,31)