N,N-bis(hexylsulfanyl)-1,3-benzothiazole-2-carbothioamide

Systemtic Name: N,N-bis(hexylsulfanyl)-1,3-benzothiazole-2-carbothioamide Openeye Name: N,N-bis(hexylsulfanyl)-1,3-benzothiazole-2-carbothioamide CAS Name: N,N-bis(hexylthio)-1,3-benzothiazole-2-carbothioamide IUPAC Name: N,N-bis(hexylsulfanyl)-1,3-benzothiazole-2-carbothioamide Traditional Name: N,N-bis(hexylthio)-1,3-benzothiazole-2-carbothioamide Formula: C20H30N2S4 MolecularWeight: 426.7256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSN(C(=S)C1=NC2=CC=CC=C2S1)SCCCCCC

Isomeric SMILES

CCCCCCSN(C(=S)C1=NC2=CC=CC=C2S1)SCCCCCC

InChI

InChI=1S/C20H30N2S4/c1-3-5-7-11-15-24-22(25-16-12-8-6-4-2)20(23)19-21-17-13-9-10-14-18(17)26-19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3