N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C25H25N3O3S4 MolecularWeight: 543.7443

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H25N3O3S4/c1-32-20-9-10-21-22(16-20)34-25(26-21)28(17-18-6-3-2-4-7-18)24(29)19-11-13-27(14-12-19)35(30,31)23-8-5-15-33-23/h2-10,15-16,19H,11-14,17H2,1H3