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

Systemtic Name: tert-butyl 4-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3-iodo-4-methoxy-benzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-iodo-4-methoxybenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-iodo-4-methoxy-benzoyl)thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24IN3O4S MolecularWeight: 505.37033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C18H24IN3O4S/c1-18(2,3)26-17(24)22-9-7-21(8-10-22)16(27)20-15(23)12-5-6-14(25-4)13(19)11-12/h5-6,11H,7-10H2,1-4H3,(H,20,23,27)