4-(4-methylphenyl)-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-(4-methylphenyl)-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S2/c1-16-7-9-17(10-8-16)19-14-33-25(23(19)24(26)31)29-21(30)11-12-32-22-13-20(27-15-28-22)18-5-3-2-4-6-18/h2-10,13-15H,11-12H2,1H3,(H2,26,31)(H,29,30)