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

Systemtic Name: 2-(2-quinolin-2-ylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(2-quinolylsulfanyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-quinolin-2-ylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-(2-quinolylthio)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S2/c1-2-16(28-18-12-11-13-7-3-5-9-15(13)24-18)21(27)25-22-19(20(23)26)14-8-4-6-10-17(14)29-22/h3,5,7,9,11-12,16H,2,4,6,8,10H2,1H3,(H2,23,26)(H,25,27)