N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H23N3O3S4 MolecularWeight: 493.68562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C21H23N3O3S4/c1-28-15-6-3-4-9-18(15)31(26,27)24-12-10-14(11-13-24)20(25)23-21-22-19-16(29-2)7-5-8-17(19)30-21/h3-9,14H,10-13H2,1-2H3,(H,22,23,25)