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

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-cyclohexyl-azanium Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl]-cyclohexyl-ammonium CAS Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]-cyclohexylammonium IUPAC Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]-cyclohexylazanium Traditional Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl]-cyclohexyl-ammonium Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH2+]C4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH2+]C4CCCCC4

InChI

InChI=1S/C23H27N3OS/c1-16(24-18-7-3-2-4-8-18)23(27)25-19-13-11-17(12-14-19)15-22-26-20-9-5-6-10-21(20)28-22/h5-6,9-14,16,18,24H,2-4,7-8,15H2,1H3,(H,25,27)/p+1/t16-/m1/s1