1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]-methyl-ammonium Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S/c1-14-12-18(24-27-14)23-21(26)20(15-8-4-3-5-9-15)25(2)13-19-22-16-10-6-7-11-17(16)28-19/h3-12,20H,13H2,1-2H3,(H,23,24,26)/p+1/t20-/m0/s1