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

Systemtic Name: tert-butyl 4-(6-chloranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

InChI

InChI=1S/C17H23ClN4O2S/c1-17(2,3)24-16(23)22-6-4-5-21(7-8-22)14-10-13-12(9-11(14)18)19-15(25)20-13/h9-10H,4-8H2,1-3H3,(H2,19,20,25)