N-(4-ethylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)thio]acetamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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