2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide

Systemtic Name: 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Openeye Name: 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxamide IUPAC Name: 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C26H25N3O2S2/c1-15-7-9-18(10-8-15)20-14-33-26(23(20)25(27)31)28-21(30)11-12-32-22-13-17(3)19-6-4-5-16(2)24(19)29-22/h4-10,13-14H,11-12H2,1-3H3,(H2,27,31)(H,28,30)