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

Systemtic Name: tert-butyl N-[1-(6-chloranyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidin-3-yl]carbamate CAS Name: N-[1-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)pyrrolidin-3-yl]carbamate Traditional Name: N-[1-(6-chloro-2-thioxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C3C(=C2)NC(=S)N3)Cl

InChI

InChI=1S/C16H21ClN4O2S/c1-16(2,3)23-15(22)18-9-4-5-21(8-9)13-7-12-11(6-10(13)17)19-14(24)20-12/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)(H2,19,20,24)