3-(2-ethylphenyl)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(phenylmethyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4F

InChI

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