3-(2,6-dimethylphenyl)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[[1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiourea Traditional Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]thiourea Formula: C28H28FN3S MolecularWeight: 457.605423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4F

InChI

InChI=1S/C28H28FN3S/c1-21-10-8-11-22(2)27(21)30-28(33)32(18-23-12-4-3-5-13-23)20-25-15-9-17-31(25)19-24-14-6-7-16-26(24)29/h3-17H,18-20H2,1-2H3,(H,30,33)