tert-butyl 4-(1-but-2-ynyl-4-carbamothioyl-5-ethoxycarbonyl-imidazol-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-but-2-ynyl-4-carbamothioyl-5-ethoxycarbonyl-imidazol-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-but-2-ynyl-4-carbamothioyl-5-ethoxycarbonyl-imidazol-2-yl)piperazine-1-carboxylate CAS Name: 4-(1-but-2-ynyl-4-carbamothioyl-5-ethoxycarbonyl-2-imidazolyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-but-2-ynyl-4-carbamothioyl-5-ethoxycarbonylimidazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-(1-but-2-ynyl-5-carbethoxy-4-thiocarbamoyl-imidazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(=S)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC#CC)N2CCN(CC2)C(=O)OC(C)(C)C)C(=S)N

InChI

InChI=1S/C20H29N5O4S/c1-6-8-9-25-15(17(26)28-7-2)14(16(21)30)22-18(25)23-10-12-24(13-11-23)19(27)29-20(3,4)5/h7,9-13H2,1-5H3,(H2,21,30)