[(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-(3-fluorophenyl)-N'-methyl-carbamimidothioate

Systemtic Name: [(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-(3-fluorophenyl)-N'-methyl-carbamimidothioate Openeye Name: 2-[(3S)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-(3-fluorophenyl)-3-methyl-isothiourea CAS Name: N-(3-fluorophenyl)-N'-methylcarbamimidothioic acid [(3S)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] N-(3-fluorophenyl)-N'-methylcarbamimidothioate Traditional Name: 2-[(3S)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-1-(3-fluorophenyl)-3-methyl-isothiourea Formula: C18H15BrFN3O2S MolecularWeight: 436.298003

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC(=CC=C1)F)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN=C(NC1=CC(=CC=C1)F)S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrFN3O2S/c1-21-18(22-13-4-2-3-12(20)9-13)26-15-10-16(24)23(17(15)25)14-7-5-11(19)6-8-14/h2-9,15H,10H2,1H3,(H,21,22)/t15-/m0/s1