1,3-benzothiazol-2-ylmethyl-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(butylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(butylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(butylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H22N4O2S/c1-3-4-9-17-16(22)19-14(21)10-20(2)11-15-18-12-7-5-6-8-13(12)23-15/h5-8H,3-4,9-11H2,1-2H3,(H2,17,19,21,22)/p+1