1-(3-fluoranyl-4-methyl-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C18H20FN3O2S2 MolecularWeight: 393.498703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)F

InChI

InChI=1S/C18H20FN3O2S2/c1-13-4-5-15(12-17(13)19)21-18(25)20-14-6-8-16(9-7-14)26(23,24)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,21,25)