1,3-benzothiazol-2-ylmethyl-[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-[4-(diethylamino)benzoyl]hydrazino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[N'-[4-(diethylamino)benzoyl]hydrazino]-2-keto-ethyl]-methyl-ammonium Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N5O2S/c1-4-27(5-2)17-12-10-16(11-13-17)22(29)25-24-20(28)14-26(3)15-21-23-18-8-6-7-9-19(18)30-21/h6-13H,4-5,14-15H2,1-3H3,(H,24,28)(H,25,29)/p+1