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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-methyl-1-[[2-(1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-methyl-1-(2-pyrrolidinobenzyl)thiourea Formula: C19H21ClFN3S MolecularWeight: 377.906543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3S/c1-23(19(25)22-15-8-9-17(21)16(20)12-15)13-14-6-2-3-7-18(14)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,25)