4,5-dimethyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)N)C)C

InChI

InChI=1S/C22H25N3O2S2/c1-11-8-13(3)20-16(9-11)12(2)10-18(25-20)28-7-6-17(26)24-22-19(21(23)27)14(4)15(5)29-22/h8-10H,6-7H2,1-5H3,(H2,23,27)(H,24,26)