2-(2-quinolin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2-quinolin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(2-quinolylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(2-quinolinylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-quinolin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-(2-quinolylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S2/c1-12(27-17-11-10-13-6-2-4-8-15(13)23-17)20(26)24-21-18(19(22)25)14-7-3-5-9-16(14)28-21/h2,4,6,8,10-12H,3,5,7,9H2,1H3,(H2,22,25)(H,24,26)