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

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-tert-butyl-azanium Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]-tert-butylammonium IUPAC Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]-tert-butylazanium Traditional Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl]-tert-butyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-14(24-21(2,3)4)20(25)22-16-11-9-15(10-12-16)13-19-23-17-7-5-6-8-18(17)26-19/h5-12,14,24H,13H2,1-4H3,(H,22,25)/p+1/t14-/m1/s1