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

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(4-mesylphenyl)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)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

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