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

Systemtic Name: tert-butyl 4-[1-but-2-ynyl-5-carbamothioyl-4-(hydroxymethyl)imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-but-2-ynyl-5-carbamothioyl-4-(hydroxymethyl)imidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-5-carbamothioyl-4-(hydroxymethyl)-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-but-2-ynyl-5-carbamothioyl-4-(hydroxymethyl)imidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-(1-but-2-ynyl-4-methylol-5-thiocarbamoyl-imidazol-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)CO)C(=S)N

Isomeric SMILES

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)CO)C(=S)N

InChI

InChI=1S/C18H27N5O3S/c1-5-6-7-23-14(15(19)27)13(12-24)20-16(23)21-8-10-22(11-9-21)17(25)26-18(2,3)4/h24H,7-12H2,1-4H3,(H2,19,27)