N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-quinolylthio)butyramide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21N3OS2/c1-2-18(27-20-12-11-14-7-3-5-9-17(14)24-20)21(26)25-22-16(13-23)15-8-4-6-10-19(15)28-22/h3,5,7,9,11-12,18H,2,4,6,8,10H2,1H3,(H,25,26)