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

Systemtic Name: [2-butylimino-3-[2-(dibutylamino)-2-oxidanylidene-ethyl]-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-butylimino-3-[2-(dibutylamino)-2-oxo-ethyl]-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-butylimino-3-[2-(dibutylamino)-2-oxoethyl]-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-butylimino-3-[2-(dibutylamino)-2-oxoethyl]-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-butylimino-3-[2-(dibutylamino)-2-keto-ethyl]-1,3-benzothiazol-6-yl]iminoammonium Formula: C21H34N5OS+ MolecularWeight: 404.59256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5OS/c1-4-7-12-23-21-26(18-11-10-17(24-22)15-19(18)28-21)16-20(27)25(13-8-5-2)14-9-6-3/h10-11,15,22H,4-9,12-14,16H2,1-3H3/p+1