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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-4-26(5-2)22(28)16-10-12-17(13-11-16)23-20(27)14-25(3)15-21-24-18-8-6-7-9-19(18)29-21/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)/p+1