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

Systemtic Name: [2-[bis[2-(dibutylamino)-2-oxidanylidene-ethyl]amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-[bis[2-(dibutylamino)-2-oxo-ethyl]amino]-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-[bis[2-(dibutylamino)-2-oxoethyl]amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-[bis[2-(dibutylamino)-2-oxoethyl]amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-[bis[2-(dibutylamino)-2-keto-ethyl]amino]-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C32H55N6O3S+ MolecularWeight: 603.8825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H54N6O3S/c1-7-13-17-36(18-14-8-2)30(39)23-38(24-31(40)37(19-15-9-3)20-16-10-4)32-34-27-21-28(41-25(11-5)12-6)26(35-33)22-29(27)42-32/h21-22,25,33H,7-20,23-24H2,1-6H3/p+1