4,5-dimethyl-2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[2-(4-methyl-2-oxoquinolin-1-yl)butanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)N2C3=CC=CC=C3C(=CC2=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)N2C3=CC=CC=C3C(=CC2=O)C

InChI

InChI=1S/C21H23N3O3S/c1-5-15(20(27)23-21-18(19(22)26)12(3)13(4)28-21)24-16-9-7-6-8-14(16)11(2)10-17(24)25/h6-10,15H,5H2,1-4H3,(H2,22,26)(H,23,27)