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

Systemtic Name: 3-ethyl-1-[1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-phenethyl-thiourea Openeye Name: 3-ethyl-1-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-phenethyl-thiourea CAS Name: 3-ethyl-1-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-phenethylthiourea IUPAC Name: 3-ethyl-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-phenethylthiourea Traditional Name: 3-ethyl-1-[1-(4-fluorophenyl)-2,5-diketo-pyrrolidin-3-yl]-1-phenethyl-thiourea Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CCC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=S)N(CCC1=CC=CC=C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-2-23-21(28)24(13-12-15-6-4-3-5-7-15)18-14-19(26)25(20(18)27)17-10-8-16(22)9-11-17/h3-11,18H,2,12-14H2,1H3,(H,23,28)