1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea

Systemtic Name: 1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea CAS Name: 1-methyl-1-[[2-(1-pyrrolidinyl)phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Traditional Name: 1-methyl-1-(2-pyrrolidinobenzyl)-3-[4-(trifluoromethoxy)phenyl]thiourea Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCC2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-25(14-15-6-2-3-7-18(15)26-12-4-5-13-26)19(28)24-16-8-10-17(11-9-16)27-20(21,22)23/h2-3,6-11H,4-5,12-14H2,1H3,(H,24,28)