1-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[3-(1,3-benzothiazol-2-ylthio)propylsulfonyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[3-(1,3-benzothiazol-2-ylthio)propylsulfonyl]-N,N-diethyl-nipecotamide Formula: C20H29N3O3S3 MolecularWeight: 455.65756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H29N3O3S3/c1-3-22(4-2)19(24)16-9-7-12-23(15-16)29(25,26)14-8-13-27-20-21-17-10-5-6-11-18(17)28-20/h5-6,10-11,16H,3-4,7-9,12-15H2,1-2H3