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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-chloranyl-3-methyl-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-chloro-3-methyl-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-chloro-3-methyl-5-benzimidazolyl)carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-chloro-3-methylbenzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-chloro-3-methyl-benzimidazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C18H26ClN5OS MolecularWeight: 395.94994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN5OS/c1-18(2,3)16-20-14-10-12(19)13(11-15(14)23(16)5)21-17(25)26-24-8-6-22(4)7-9-24/h10-11H,6-9H2,1-5H3,(H,21,25)