tert-butyl N-[1-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-3-yl]carbamate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1)N2C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCN(C1)N2C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C17H23ClN4O2S/c1-17(2,3)24-16(23)19-12-5-4-8-21(10-12)22-14-7-6-11(18)9-13(14)20-15(22)25/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,19,23)(H,20,25)