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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C21H19N5OS3 MolecularWeight: 453.60346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C

InChI

InChI=1S/C21H19N5OS3/c1-13-8-14(2)24-20(23-13)28-12-19(27)25-16-5-6-17-18(9-16)30-21(26-17)29-11-15-4-3-7-22-10-15/h3-10H,11-12H2,1-2H3,(H,25,27)