2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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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=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-6-16(21(27)25-22-18(20(23)26)13(4)14(5)28-22)29-17-10-12(3)15-9-7-8-11(2)19(15)24-17/h7-10,16H,6H2,1-5H3,(H2,23,26)(H,25,27)