2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C22H24N4OS3 MolecularWeight: 456.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H24N4OS3/c1-4-5-6-7-8-11-28-22-26-18-10-9-17(13-19(18)30-22)25-20(27)14-29-21-23-15(2)12-16(3)24-21/h9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,25,27)