1-[(4-dimethylaminophenyl)methyl]-3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-3-(2-fluorophenyl)-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-3-(2-fluorophenyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C22H26FN5S MolecularWeight: 411.538743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN5S/c1-26(2)19-10-8-18(9-11-19)16-28(14-5-13-27-15-12-24-17-27)22(29)25-21-7-4-3-6-20(21)23/h3-4,6-12,15,17H,5,13-14,16H2,1-2H3,(H,25,29)