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

Systemtic Name: tert-butyl 4-(6-cyano-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-cyano-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(6-cyano-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-cyano-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(6-cyano-2-thioxo-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2C#N)NC(=S)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2C#N)NC(=S)N3

InChI

InChI=1S/C17H21N5O2S/c1-17(2,3)24-16(23)22-6-4-21(5-7-22)14-9-13-12(8-11(14)10-18)19-15(25)20-13/h8-9H,4-7H2,1-3H3,(H2,19,20,25)