4,5-dimethyl-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N4O2S2/c1-12-13(2)29-21(19(12)20(22)27)25-17(26)9-10-28-18-11-16(23-14(3)24-18)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3,(H2,22,27)(H,25,26)