S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamothioate

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamothioate CAS Name: N-[2-tert-butyl-3-[dimethylamino(oxo)methyl]-6-(propylthio)-5-benzimidazolyl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanylbenzimidazol-5-yl]carbamothioate Traditional Name: N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-(propylthio)benzimidazol-5-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C23H36N6O2S2 MolecularWeight: 492.70094

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)N(C)C)C(C)(C)C)NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)N(C)C)C(C)(C)C)NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C23H36N6O2S2/c1-8-13-32-19-15-16-18(29(22(31)26(5)6)20(24-16)23(2,3)4)14-17(19)25-21(30)33-28-11-9-27(7)10-12-28/h14-15H,8-13H2,1-7H3,(H,25,30)