1-[(4-fluorophenyl)methyl]-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(4-methyl-3-piperidinosulfonyl-phenyl)thiourea Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24FN3O2S2/c1-15-5-10-18(13-19(15)28(25,26)24-11-3-2-4-12-24)23-20(27)22-14-16-6-8-17(21)9-7-16/h5-10,13H,2-4,11-12,14H2,1H3,(H2,22,23,27)