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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3S/c20-17-11-16(7-8-18(17)21)23-19(25)22-12-14-5-1-2-6-15(14)13-24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-13H2,(H2,22,23,25)