[2-phenylimino-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-phenylimino-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [3-benzyl-2-phenylimino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-phenylimino-3-(phenylmethyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [3-benzyl-2-phenylimino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [3-benzyl-2-phenylimino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C29H35N4OS+ MolecularWeight: 487.6794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC2=C(C=C1N=[NH2+])SC(=NC3=CC=CC=C3)N2CC4=CC=CC=C4)CC(C)(C)C

Isomeric SMILES

CC(CCOC1=CC2=C(C=C1N=[NH2+])SC(=NC3=CC=CC=C3)N2CC4=CC=CC=C4)CC(C)(C)C

InChI

InChI=1S/C29H34N4OS/c1-21(19-29(2,3)4)15-16-34-26-18-25-27(17-24(26)32-30)35-28(31-23-13-9-6-10-14-23)33(25)20-22-11-7-5-8-12-22/h5-14,17-18,21,30H,15-16,19-20H2,1-4H3/p+1