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

Systemtic Name: tert-butyl 4-(6-chloranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperidine-1-carboxylate CAS Name: 4-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-1-carboxylate Traditional Name: 4-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC3=C(C=C2Cl)NC(=S)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC3=C(C=C2Cl)NC(=S)N3

InChI

InChI=1S/C17H22ClN3O2S/c1-17(2,3)23-16(22)21-6-4-10(5-7-21)11-8-13-14(9-12(11)18)20-15(24)19-13/h8-10H,4-7H2,1-3H3,(H2,19,20,24)