[2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [3-benzyl-2-(4-butoxyphenyl)imino-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-3-(phenylmethyl)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [3-benzyl-2-(4-butoxyphenyl)imino-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [3-benzyl-2-(4-butoxyphenyl)imino-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C29H35N4O2S+ MolecularWeight: 503.6788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N=C2N(C3=C(S2)C=C(C(=C3)OC(CC)CC)N=[NH2+])CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N=C2N(C3=C(S2)C=C(C(=C3)OC(CC)CC)N=[NH2+])CC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2S/c1-4-7-17-34-24-15-13-22(14-16-24)31-29-33(20-21-11-9-8-10-12-21)26-19-27(35-23(5-2)6-3)25(32-30)18-28(26)36-29/h8-16,18-19,23,30H,4-7,17,20H2,1-3H3/p+1