1-(3,4-dimethylphenyl)-3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[1-(2-fluorophenyl)sulfonylisonipecotoyl]amino]thiourea Formula: C21H25FN4O3S2 MolecularWeight: 464.576603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN4O3S2/c1-14-7-8-17(13-15(14)2)23-21(30)25-24-20(27)16-9-11-26(12-10-16)31(28,29)19-6-4-3-5-18(19)22/h3-8,13,16H,9-12H2,1-2H3,(H,24,27)(H2,23,25,30)