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

Systemtic Name: tert-butyl 4-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)NC(=S)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)NC(=S)N3

InChI

InChI=1S/C16H22N4O2S/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-4-5-12-13(10-11)18-14(23)17-12/h4-5,10H,6-9H2,1-3H3,(H2,17,18,23)