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

Systemtic Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S2/c1-4-17(30-19-12-14(3)15-10-7-8-13(2)21(15)26-19)23(29)27-24-20(22(25)28)16-9-5-6-11-18(16)31-24/h7-8,10,12,17H,4-6,9,11H2,1-3H3,(H2,25,28)(H,27,29)