1-[1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1,3-diphenethyl-thiourea

Systemtic Name: 1-[1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1,3-diphenethyl-thiourea Openeye Name: 1-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenethyl-thiourea CAS Name: 1-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1,3-diphenethylthiourea IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1,3-diphenethylthiourea Traditional Name: 1-[1-(4-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-1,3-diphenethyl-thiourea Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O2S/c28-22-11-13-23(14-12-22)31-25(32)19-24(26(31)33)30(18-16-21-9-5-2-6-10-21)27(34)29-17-15-20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,29,34)