N-[3-(4-bromophenyl)carbonyl-4,5-dimethyl-thiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(4-bromophenyl)carbonyl-4,5-dimethyl-thiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(4-bromobenzoyl)-4,5-dimethyl-2-thienyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-[(4-bromophenyl)-oxomethyl]-4,5-dimethyl-2-thiophenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(4-bromobenzoyl)-4,5-dimethylthiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(4-bromobenzoyl)-4,5-dimethyl-2-thienyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H20BrN3O2S2 MolecularWeight: 490.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C)C)C(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrN3O2S2/c1-11-9-12(2)24-21(23-11)28-10-17(26)25-20-18(13(3)14(4)29-20)19(27)15-5-7-16(22)8-6-15/h5-9H,10H2,1-4H3,(H,25,26)