S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-chloranyl-1,3-benzoxazol-6-yl)carbamothioate

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-chloranyl-1,3-benzoxazol-6-yl)carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-chloro-1,3-benzoxazol-6-yl)carbamothioate CAS Name: N-(2-tert-butyl-5-chloro-1,3-benzoxazol-6-yl)carbamothioic acid S-[(4-methyl-4-oxido-1-piperazin-4-iumyl)] ester IUPAC Name: S-(4-methyl-4-oxidopiperazin-4-ium-1-yl) N-(2-tert-butyl-5-chloro-1,3-benzoxazol-6-yl)carbamothioate Traditional Name: N-(2-tert-butyl-5-chloro-1,3-benzoxazol-6-yl)thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2O1)NC(=O)SN3CC[N+](CC3)(C)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2O1)NC(=O)SN3CC[N+](CC3)(C)[O-])Cl

InChI

InChI=1S/C17H23ClN4O3S/c1-17(2,3)15-19-13-9-11(18)12(10-14(13)25-15)20-16(23)26-21-5-7-22(4,24)8-6-21/h9-10H,5-8H2,1-4H3,(H,20,23)