2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C23H25N3O2S2/c1-13-6-5-8-15-14(2)12-19(26-21(13)15)29-11-10-18(27)25-23-20(22(24)28)16-7-3-4-9-17(16)30-23/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H2,24,28)(H,25,27)