1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C24H24N3OS+ MolecularWeight: 402.53186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H23N3OS/c1-17-12-14-19(15-13-17)25-24(28)23(18-8-4-3-5-9-18)27(2)16-22-26-20-10-6-7-11-21(20)29-22/h3-15,23H,16H2,1-2H3,(H,25,28)/p+1/t23-/m0/s1