N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(2-quinolylsulfanyl)butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-(2-quinolinylthio)butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(2-quinolylthio)butyramide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21N3O2S2/c1-3-22(32-23-13-10-17-6-4-5-7-21(17)27-23)24(29)28-25-19(14-26)20(15-31-25)16-8-11-18(30-2)12-9-16/h4-13,15,22H,3H2,1-2H3,(H,28,29)