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

Systemtic Name: tert-butyl 4-(6-chloranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

InChI

InChI=1S/C16H21ClN4O2S/c1-16(2,3)23-15(22)21-6-4-20(5-7-21)13-9-12-11(8-10(13)17)18-14(24)19-12/h8-9H,4-7H2,1-3H3,(H2,18,19,24)