4-(4-methylphenyl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C27H26N4O2S2 MolecularWeight: 502.65094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)N)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O2S2/c1-4-22(35-23-14-21(29-17(3)30-23)19-8-6-5-7-9-19)26(33)31-27-24(25(28)32)20(15-34-27)18-12-10-16(2)11-13-18/h5-15,22H,4H2,1-3H3,(H2,28,32)(H,31,33)