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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-chloranyl-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-chloro-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-chloro-3-methylsulfonyl-5-benzimidazolyl)carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-chloro-3-methylsulfonylbenzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-chloro-3-mesyl-benzimidazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C18H26ClN5O3S2 MolecularWeight: 460.01374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1S(=O)(=O)C)NC(=O)SN3CCN(CC3)C)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1S(=O)(=O)C)NC(=O)SN3CCN(CC3)C)Cl

InChI

InChI=1S/C18H26ClN5O3S2/c1-18(2,3)16-20-14-10-12(19)13(11-15(14)24(16)29(5,26)27)21-17(25)28-23-8-6-22(4)7-9-23/h10-11H,6-9H2,1-5H3,(H,21,25)