N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C25H21N3O2S2/c1-16-13-24(27-22-6-4-3-5-19(16)22)31-12-11-23(29)28-25-20(14-26)21(15-32-25)17-7-9-18(30-2)10-8-17/h3-10,13,15H,11-12H2,1-2H3,(H,28,29)