N-(2,6-dimethylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)thio]acetamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O3S3/c1-15-7-6-8-16(2)21(15)24-20(26)14-29-22-23-18-10-9-17(13-19(18)30-22)31(27,28)25-11-4-3-5-12-25/h6-10,13H,3-5,11-12,14H2,1-2H3,(H,24,26)