2-(2-phenylethenylsulfonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(2-phenylethenylsulfonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-styrylsulfonyl-acetamide CAS Name: 2-(2-phenylethenylsulfonyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(2-phenylethenylsulfonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-styrylsulfonyl-acetamide Formula: C22H24N2O3S4 MolecularWeight: 492.69756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S4/c1-16(2)28-11-12-29-22-24-19-9-8-18(14-20(19)30-22)23-21(25)15-31(26,27)13-10-17-6-4-3-5-7-17/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,23,25)