aminocarbonyl-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-(phenylmethyl)azanium

Systemtic Name: aminocarbonyl-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-(phenylmethyl)azanium Openeye Name: [2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-benzyl-tert-butyl-carbamoyl-ammonium CAS Name: [2-[4-(2-amino-4-thiazolyl)anilino]-2-oxoethyl]-tert-butyl-carbamoyl-(phenylmethyl)ammonium IUPAC Name: [2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-benzyl-tert-butyl-carbamoylazanium Traditional Name: [2-[4-(2-aminothiazol-4-yl)anilino]-2-keto-ethyl]-benzyl-tert-butyl-carbamoyl-ammonium Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](CC1=CC=CC=C1)(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)N

Isomeric SMILES

CC(C)(C)[N+](CC1=CC=CC=C1)(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)N

InChI

InChI=1S/C23H27N5O2S/c1-23(2,3)28(22(25)30,13-16-7-5-4-6-8-16)14-20(29)26-18-11-9-17(10-12-18)19-15-31-21(24)27-19/h4-12,15H,13-14H2,1-3H3,(H4-,24,25,26,27,29,30)/p+1