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

Systemtic Name: tert-butyl N-[1-(5-chloranyl-2-sulfanylidene-3H-benzimidazol-1-yl)pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)pyrrolidin-3-yl]carbamate CAS Name: N-[1-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(5-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)pyrrolidin-3-yl]carbamate Traditional Name: N-[1-(5-chloro-2-thioxo-3H-benzimidazol-1-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C16H21ClN4O2S MolecularWeight: 368.88154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)N2C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)N2C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C16H21ClN4O2S/c1-16(2,3)23-15(22)18-11-6-7-20(9-11)21-13-5-4-10(17)8-12(13)19-14(21)24/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,22)(H,19,24)