ethyl 2-tert-butyl-5-chloranyl-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-tert-butyl-5-chloranyl-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate Openeye Name: ethyl 2-tert-butyl-5-chloro-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate CAS Name: 2-tert-butyl-5-chloro-6-[[[(4-methyl-1-piperazinyl)thio]-oxomethyl]amino]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-chloro-6-[(4-methylpiperazin-1-yl)sulfanylcarbonylamino]benzimidazole-1-carboxylate Traditional Name: 2-tert-butyl-5-chloro-6-[[(4-methylpiperazino)thio]carbonylamino]benzimidazole-1-carboxylic acid ethyl ester Formula: C20H28ClN5O3S MolecularWeight: 453.98602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC(=C(C=C2N=C1C(C)(C)C)Cl)NC(=O)SN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)N1C2=CC(=C(C=C2N=C1C(C)(C)C)Cl)NC(=O)SN3CCN(CC3)C

InChI

InChI=1S/C20H28ClN5O3S/c1-6-29-19(28)26-16-12-14(13(21)11-15(16)22-17(26)20(2,3)4)23-18(27)30-25-9-7-24(5)8-10-25/h11-12H,6-10H2,1-5H3,(H,23,27)