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

Systemtic Name: 4-(4-methylphenyl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-4-(p-tolyl)thiophene-3-carboxamide CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-(4-methylphenyl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxamide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

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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

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

InChI

InChI=1S/C26H24N4O2S2/c1-3-21(34-22-13-20(28-15-29-22)18-7-5-4-6-8-18)25(32)30-26-23(24(27)31)19(14-33-26)17-11-9-16(2)10-12-17/h4-15,21H,3H2,1-2H3,(H2,27,31)(H,30,32)