S-(1-methyl-4-oxidanidyl-piperazine-1,4-diium-1-yl) N-(2-tert-butyl-6-propylsulfanyl-3H-benzimidazol-5-yl)carbamothioate

Systemtic Name: S-(1-methyl-4-oxidanidyl-piperazine-1,4-diium-1-yl) N-(2-tert-butyl-6-propylsulfanyl-3H-benzimidazol-5-yl)carbamothioate Openeye Name: S-(1-methyl-4-oxido-piperazine-1,4-diium-1-yl) N-(2-tert-butyl-6-propylsulfanyl-3H-benzimidazol-5-yl)carbamothioate CAS Name: N-[2-tert-butyl-6-(propylthio)-3H-benzimidazol-5-yl]carbamothioic acid S-[(1-methyl-4-oxido-1-piperazine-1,4-diiumyl)] ester IUPAC Name: S-(1-methyl-4-oxidopiperazine-1,4-diium-1-yl) N-(2-tert-butyl-6-propylsulfanyl-3H-benzimidazol-5-yl)carbamothioate Traditional Name: N-[2-tert-butyl-6-(propylthio)-3H-benzimidazol-5-yl]thiocarbamic acid S-(1-methyl-4-oxido-piperazine-1,4-diium-1-yl) ester Formula: C20H32N5O2S2+ MolecularWeight: 438.63038

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2)C(C)(C)C)NC(=O)S[N+]3(CC[NH+](CC3)[O-])C

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2)C(C)(C)C)NC(=O)S[N+]3(CC[NH+](CC3)[O-])C

InChI

InChI=1S/C20H31N5O2S2/c1-6-11-28-17-13-15-14(21-18(22-15)20(2,3)4)12-16(17)23-19(26)29-25(5)9-7-24(27)8-10-25/h12-13,24H,6-11H2,1-5H3,(H-,21,22,23,26)/p+1