1,3-benzothiazol-2-ylmethyl-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-4-11(2)17-16(22)19-14(21)9-20(3)10-15-18-12-7-5-6-8-13(12)23-15/h5-8,11H,4,9-10H2,1-3H3,(H2,17,19,21,22)/p+1/t11-/m0/s1