1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(5-fluoranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(5-fluoranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(5-fluoro-2-methyl-phenyl)thiourea CAS Name: 1-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(5-fluoro-2-methylphenyl)thiourea IUPAC Name: 1-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(5-fluoro-2-methylphenyl)thiourea Traditional Name: 1-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3-(5-fluoro-2-methyl-phenyl)thiourea Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)F)C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)F)C)C

InChI

InChI=1S/C21H26FN3O2S2/c1-14-7-8-17(22)13-20(14)24-21(28)23-18-9-11-19(12-10-18)29(26,27)25-15(2)5-4-6-16(25)3/h7-13,15-16H,4-6H2,1-3H3,(H2,23,24,28)