tert-butyl 4-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(5-chloro-2-thioxo-3H-benzimidazol-1-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)N2C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C17H22ClN3O2S/c1-17(2,3)23-16(22)20-8-6-12(7-9-20)21-14-5-4-11(18)10-13(14)19-15(21)24/h4-5,10,12H,6-9H2,1-3H3,(H,19,24)