[2-butylimino-3-[2-(dibutylamino)-2-oxidanylidene-ethyl]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-butylimino-3-[2-(dibutylamino)-2-oxidanylidene-ethyl]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-butylimino-3-[2-(dibutylamino)-2-oxo-ethyl]-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-butylimino-3-[2-(dibutylamino)-2-oxoethyl]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-butylimino-3-[2-(dibutylamino)-2-oxoethyl]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-butylimino-3-[2-(dibutylamino)-2-keto-ethyl]-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C26H44N5O2S+ MolecularWeight: 490.72486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C2=C(S1)C=C(C(=C2)OC(CC)CC)N=[NH2+])CC(=O)N(CCCC)CCCC

Isomeric SMILES

CCCCN=C1N(C2=C(S1)C=C(C(=C2)OC(CC)CC)N=[NH2+])CC(=O)N(CCCC)CCCC

InChI

InChI=1S/C26H43N5O2S/c1-6-11-14-28-26-31(19-25(32)30(15-12-7-2)16-13-8-3)22-18-23(33-20(9-4)10-5)21(29-27)17-24(22)34-26/h17-18,20,27H,6-16,19H2,1-5H3/p+1