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

Systemtic Name: S-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate Openeye Name: S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) N-(2-tert-butyl-5-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate CAS Name: N-[2-tert-butyl-5-(methylthio)-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-methylsulfanyl-1,3-benzoxazol-6-yl)carbamothioate Traditional Name: N-[2-tert-butyl-5-(methylthio)-1,3-benzoxazol-6-yl]thiocarbamic acid S-(4-methyl-4-oxido-piperazin-4-ium-1-yl) ester Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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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-])SC

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S2/c1-18(2,3)16-19-12-11-15(26-5)13(10-14(12)25-16)20-17(23)27-21-6-8-22(4,24)9-7-21/h10-11H,6-9H2,1-5H3,(H,20,23)