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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-propylsulfanyl-3H-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-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-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-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-(4-methylpiperazino) ester Formula: C20H31N5OS2 MolecularWeight: 421.62304

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2)C(C)(C)C)NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2)C(C)(C)C)NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C20H31N5OS2/c1-6-11-27-17-13-15-14(21-18(22-15)20(2,3)4)12-16(17)23-19(26)28-25-9-7-24(5)8-10-25/h12-13H,6-11H2,1-5H3,(H,21,22)(H,23,26)