4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]thiophene-3-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-5-16(20(26)24-21-18(19(22)25)12(3)13(4)27-21)28-17-10-11(2)14-8-6-7-9-15(14)23-17/h6-10,16H,5H2,1-4H3,(H2,22,25)(H,24,26)