1-[(4-ethoxyphenyl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[(4-ethoxyphenyl)methyl]-3-(3-fluoro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[(4-ethoxyphenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-3-(3-fluoro-4-methylphenyl)-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(4-ethoxybenzyl)-3-(3-fluoro-4-methyl-phenyl)-1-(3-imidazol-1-ylpropyl)thiourea Formula: C23H27FN4OS MolecularWeight: 426.550083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C23H27FN4OS/c1-3-29-21-9-6-19(7-10-21)16-28(13-4-12-27-14-11-25-17-27)23(30)26-20-8-5-18(2)22(24)15-20/h5-11,14-15,17H,3-4,12-13,16H2,1-2H3,(H,26,30)