N,N-diethyl-2-[[6-[2-(4-methylphenyl)sulfonylethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N,N-diethyl-2-[[6-[2-(4-methylphenyl)sulfonylethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N,N-diethyl-2-[[6-[[2-(p-tolylsulfonyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N,N-diethyl-2-[[6-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N,N-diethyl-2-[[6-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N,N-diethyl-2-[[6-[(2-tosylacetyl)amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O4S3/c1-4-25(5-2)21(27)13-30-22-24-18-11-8-16(12-19(18)31-22)23-20(26)14-32(28,29)17-9-6-15(3)7-10-17/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)