tert-butyl 4-(6-ethanoyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-ethanoyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-acetyl-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(6-acetyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-acetyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(6-acetyl-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1N3CCN(CC3)C(=O)OC(C)(C)C)NC(=S)N2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1N3CCN(CC3)C(=O)OC(C)(C)C)NC(=S)N2

InChI

InChI=1S/C18H24N4O3S/c1-11(23)12-9-13-14(20-16(26)19-13)10-15(12)21-5-7-22(8-6-21)17(24)25-18(2,3)4/h9-10H,5-8H2,1-4H3,(H2,19,20,26)