tert-butyl 4-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3-iodo-4-methyl-benzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-iodo-4-methylbenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-iodo-4-methyl-benzoyl)thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24IN3O3S MolecularWeight: 489.37093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C18H24IN3O3S/c1-12-5-6-13(11-14(12)19)15(23)20-16(26)21-7-9-22(10-8-21)17(24)25-18(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,20,23,26)