3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzothiazole-2-thione Formula: C21H23N3S4 MolecularWeight: 445.68742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C21H23N3S4/c1-2-3-4-7-12-26-20-23-16-11-10-15(13-19(16)27-20)22-14-24-17-8-5-6-9-18(17)28-21(24)25/h5-6,8-11,13,22H,2-4,7,12,14H2,1H3