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

Systemtic Name: [2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-[bis(2-ethoxy-2-oxo-ethyl)amino]-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-[bis(2-ethoxy-2-oxoethyl)amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-[bis(2-ethoxy-2-oxoethyl)amino]-5-pentan-3-yloxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-[bis(2-ethoxy-2-keto-ethyl)amino]-5-(1-ethylpropoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C20H29N4O5S+ MolecularWeight: 437.53306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C2C(=C1)N=C(S2)N(CC(=O)OCC)CC(=O)OCC)N=[NH2+]

Isomeric SMILES

CCC(CC)OC1=C(C=C2C(=C1)N=C(S2)N(CC(=O)OCC)CC(=O)OCC)N=[NH2+]

InChI

InChI=1S/C20H28N4O5S/c1-5-13(6-2)29-16-9-15-17(10-14(16)23-21)30-20(22-15)24(11-18(25)27-7-3)12-19(26)28-8-4/h9-10,13,21H,5-8,11-12H2,1-4H3/p+1