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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-3-(phenylmethyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(3-benzyl-2-tert-butyl-benzimidazol-5-yl)carbamothioate CAS Name: N-[2-tert-butyl-3-(phenylmethyl)-5-benzimidazolyl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(3-benzyl-2-tert-butylbenzimidazol-5-yl)carbamothioate Traditional Name: N-(3-benzyl-2-tert-butyl-benzimidazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC(=O)SN4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC(=O)SN4CCN(CC4)C

InChI

InChI=1S/C24H31N5OS/c1-24(2,3)22-26-20-11-10-19(25-23(30)31-28-14-12-27(4)13-15-28)16-21(20)29(22)17-18-8-6-5-7-9-18/h5-11,16H,12-15,17H2,1-4H3,(H,25,30)