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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-[2-tert-butyl-6-methoxy-3-(phenylmethyl)benzimidazol-5-yl]carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(3-benzyl-2-tert-butyl-6-methoxy-benzimidazol-5-yl)carbamothioate CAS Name: N-[2-tert-butyl-6-methoxy-3-(phenylmethyl)-5-benzimidazolyl]carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(3-benzyl-2-tert-butyl-6-methoxybenzimidazol-5-yl)carbamothioate Traditional Name: N-(3-benzyl-2-tert-butyl-6-methoxy-benzimidazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3)NC(=O)SN4CCN(CC4)C)OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1CC3=CC=CC=C3)NC(=O)SN4CCN(CC4)C)OC

InChI

InChI=1S/C25H33N5O2S/c1-25(2,3)23-26-19-16-22(32-5)20(27-24(31)33-29-13-11-28(4)12-14-29)15-21(19)30(23)17-18-9-7-6-8-10-18/h6-10,15-16H,11-14,17H2,1-5H3,(H,27,31)