4,5-dimethyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[2-(2-quinolylsulfanyl)butanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[2-(2-quinolylthio)butanoylamino]thiophene-3-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N3O2S2/c1-4-15(27-16-10-9-13-7-5-6-8-14(13)22-16)19(25)23-20-17(18(21)24)11(2)12(3)26-20/h5-10,15H,4H2,1-3H3,(H2,21,24)(H,23,25)