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

Systemtic Name: 4-(4-methylphenyl)-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S2/c1-12-3-5-14(6-4-12)15-10-28-20(18(15)19(21)26)24-16(25)7-8-27-17-9-13(2)22-11-23-17/h3-6,9-11H,7-8H2,1-2H3,(H2,21,26)(H,24,25)