4-(4-methylphenyl)-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2S2/c1-15-7-9-17(10-8-15)19-14-32-25(23(19)24(26)30)28-21(29)11-12-31-22-13-16(2)18-5-3-4-6-20(18)27-22/h3-10,13-14H,11-12H2,1-2H3,(H2,26,30)(H,28,29)