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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate CAS Name: N-[2-tert-butyl-3-[dimethylamino(oxo)methyl]-5-benzimidazolyl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]carbamothioate Traditional Name: N-[2-tert-butyl-3-(dimethylcarbamoyl)benzimidazol-5-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C20H30N6O2S MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1C(=O)N(C)C)C=C(C=C2)NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1C(=O)N(C)C)C=C(C=C2)NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C20H30N6O2S/c1-20(2,3)17-22-15-8-7-14(13-16(15)26(17)19(28)23(4)5)21-18(27)29-25-11-9-24(6)10-12-25/h7-8,13H,9-12H2,1-6H3,(H,21,27)