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

Systemtic Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioate Openeye Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioate CAS Name: N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioic acid S-[(4-methyl-1-piperazinyl)] ester IUPAC Name: S-(4-methylpiperazin-1-yl) N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)carbamothioate Traditional Name: N-(2-tert-butyl-6-methoxy-3H-benzimidazol-5-yl)thiocarbamic acid S-(4-methylpiperazino) ester Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2N1)NC(=O)SN3CCN(CC3)C)OC

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2N1)NC(=O)SN3CCN(CC3)C)OC

InChI

InChI=1S/C18H27N5O2S/c1-18(2,3)16-19-12-10-14(15(25-5)11-13(12)20-16)21-17(24)26-23-8-6-22(4)7-9-23/h10-11H,6-9H2,1-5H3,(H,19,20)(H,21,24)