[2-(dibutylamino)-5-[2-(dibutylamino)-2-oxidanylidene-ethoxy]-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-(dibutylamino)-5-[2-(dibutylamino)-2-oxidanylidene-ethoxy]-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(dibutylamino)-5-[2-(dibutylamino)-2-oxo-ethoxy]-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(dibutylamino)-5-[2-(dibutylamino)-2-oxoethoxy]-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(dibutylamino)-5-[2-(dibutylamino)-2-oxoethoxy]-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(dibutylamino)-5-[2-(dibutylamino)-2-keto-ethoxy]-1,3-benzothiazol-6-yl]iminoammonium Formula: C25H42N5O2S+ MolecularWeight: 476.69828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC2=CC(=C(C=C2S1)N=[NH2+])OCC(=O)N(CCCC)CCCC

Isomeric SMILES

CCCCN(CCCC)C1=NC2=CC(=C(C=C2S1)N=[NH2+])OCC(=O)N(CCCC)CCCC

InChI

InChI=1S/C25H41N5O2S/c1-5-9-13-29(14-10-6-2)24(31)19-32-22-17-21-23(18-20(22)28-26)33-25(27-21)30(15-11-7-3)16-12-8-4/h17-18,26H,5-16,19H2,1-4H3/p+1