N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(p-tolylsulfonyl)acetamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-tosyl-acetamide Formula: C23H24N2O3S3 MolecularWeight: 472.64326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H24N2O3S3/c1-3-4-5-6-7-14-29-23-25-20-13-10-18(15-21(20)30-23)24-22(26)16-31(27,28)19-11-8-17(2)9-12-19/h8-13,15H,3-4,7,14,16H2,1-2H3,(H,24,26)