1-tert-butyl-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]amino]thiourea Formula: C17H25FN4O3S2 MolecularWeight: 416.533803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN4O3S2/c1-17(2,3)19-16(26)21-20-15(23)12-5-4-10-22(11-12)27(24,25)14-8-6-13(18)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,23)(H2,19,21,26)/t12-/m0/s1