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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-methoxy-benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-methoxy-benzimidazol-5-yl]carbamothioate CAS Name: N-[2-tert-butyl-3-[dimethylamino(oxo)methyl]-6-methoxy-5-benzimidazolyl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-methoxybenzimidazol-5-yl]carbamothioate Traditional Name: N-[2-tert-butyl-3-(dimethylcarbamoyl)-6-methoxy-benzimidazol-5-yl]thiocarbamic acid S-(4-methylpiperazino) ester Formula: C21H32N6O3S MolecularWeight: 448.58218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1C(=O)N(C)C)NC(=O)SN3CCN(CC3)C)OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1C(=O)N(C)C)NC(=O)SN3CCN(CC3)C)OC

InChI

InChI=1S/C21H32N6O3S/c1-21(2,3)18-22-14-13-17(30-7)15(12-16(14)27(18)20(29)24(4)5)23-19(28)31-26-10-8-25(6)9-11-26/h12-13H,8-11H2,1-7H3,(H,23,28)