2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H26N4O2S3 MolecularWeight: 462.65174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC)C

InChI

InChI=1S/C21H26N4O2S3/c1-13-10-14(2)23-19(22-13)29-12-18(26)24-15-6-7-16-17(11-15)30-20(25-16)28-9-8-21(3,4)27-5/h6-7,10-11H,8-9,12H2,1-5H3,(H,24,26)