1,3-benzothiazol-2-ylmethyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S/c1-13(20(25)21-16-10-8-15(9-11-16)14(2)24)23(3)12-19-22-17-6-4-5-7-18(17)26-19/h4-11,13H,12H2,1-3H3,(H,21,25)/p+1/t13-/m1/s1