N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide

Systemtic Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)ethanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide CAS Name: N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide IUPAC Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Formula: C23H28N2O4S3 MolecularWeight: 492.67442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S3/c1-14(2)30-10-11-31-23-25-17-8-7-16(13-19(17)32-23)24-20(26)12-15-6-9-18(27-3)22(29-5)21(15)28-4/h6-9,13-14H,10-12H2,1-5H3,(H,24,26)