1,3-benzothiazol-2-ylmethyl-[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H21N4O2S+ MolecularWeight: 333.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N4O2S/c1-10(15(21)19-16(22)17-11-7-8-11)20(2)9-14-18-12-5-3-4-6-13(12)23-14/h3-6,10-11H,7-9H2,1-2H3,(H2,17,19,21,22)/p+1/t10-/m0/s1