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

Systemtic Name: 4-(4-methylphenyl)-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-4-16(29-17-9-13(3)23-11-24-17)20(27)25-21-18(19(22)26)15(10-28-21)14-7-5-12(2)6-8-14/h5-11,16H,4H2,1-3H3,(H2,22,26)(H,25,27)