2-(1,3-benzothiazol-2-yl)-2-butyl-butanebis(thioate); diethylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-butyl-butanebis(thioate); diethylazanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-butyl-butanebis(thioate); diethylammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-2-butylbutanebis(thioate); diethylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-butylbutanebis(thioate); diethylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-butyl-butanebis(thioate); diethylammonium Formula: C23H39N3O2S3 MolecularWeight: 485.76966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].CC[NH2+]CC.CC[NH2+]CC

Isomeric SMILES

CCCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].CC[NH2+]CC.CC[NH2+]CC

InChI

InChI=1S/C15H17NO2S3.2C4H11N/c1-2-3-8-15(14(18)20,9-12(17)19)13-16-10-6-4-5-7-11(10)21-13;2*1-3-5-4-2/h4-7H,2-3,8-9H2,1H3,(H,17,19)(H,18,20);2*5H,3-4H2,1-2H3