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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-methoxy-3-methylsulfonyl-5-benzimidazolyl)carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-methoxy-3-methylsulfonylbenzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-3-mesyl-6-methoxy-benzimidazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C19H29N5O4S2 MolecularWeight: 455.59466

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O4S2/c1-19(2,3)17-20-13-12-16(28-5)14(11-15(13)24(17)30(6,26)27)21-18(25)29-23-9-7-22(4)8-10-23/h11-12H,7-10H2,1-6H3,(H,21,25)