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

Systemtic Name: 2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H29N3O2S2 MolecularWeight: 467.64666

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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=C(C=C4C(=C3)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S2/c1-5-18(31-20-12-14(3)17-11-13(2)10-15(4)22(17)27-20)24(30)28-25-21(23(26)29)16-8-6-7-9-19(16)32-25/h10-12,18H,5-9H2,1-4H3,(H2,26,29)(H,28,30)