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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-11(2)8-17-16(22)19-14(21)9-20(3)10-15-18-12-6-4-5-7-13(12)23-15/h4-7,11H,8-10H2,1-3H3,(H2,17,19,21,22)/p+1