tert-butyl N-[1-(6-chloranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(6-chloranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)-3-piperidyl]carbamate CAS Name: N-[1-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidin-3-yl]carbamate Traditional Name: N-[1-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C17H23ClN4O2S MolecularWeight: 382.90812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

InChI

InChI=1S/C17H23ClN4O2S/c1-17(2,3)24-16(23)19-10-5-4-6-22(9-10)14-8-13-12(7-11(14)18)20-15(25)21-13/h7-8,10H,4-6,9H2,1-3H3,(H,19,23)(H2,20,21,25)