2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H20N4OS4 MolecularWeight: 472.6697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C

InChI

InChI=1S/C21H20N4OS4/c1-13-9-14(2)23-20(22-13)29-12-19(26)24-16-3-4-17-18(10-16)30-21(25-17)28-8-6-15-5-7-27-11-15/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,24,26)