N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-piperidine-3-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-piperidine-3-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methyl-piperidine-3-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-methyl-3-piperidinecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1-methylpiperidine-3-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1-methyl-nipecotamide Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN(C3)C

InChI

InChI=1S/C21H27N3OS2/c1-3-4-5-6-7-13-26-21-23-18-11-10-17(14-19(18)27-21)22-20(25)16-9-8-12-24(2)15-16/h10-11,14,16H,3-4,7-9,12-13,15H2,1-2H3,(H,22,25)