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

Systemtic Name: [1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-[(4-chlorophenyl)methyl]-N-phenyl-carbamimidothioate Openeye Name: 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-[(4-chlorophenyl)methyl]-1-phenyl-isothiourea CAS Name: N'-[(4-chlorophenyl)methyl]-N-phenylcarbamimidothioic acid [1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] N'-[(4-chlorophenyl)methyl]-N-phenylcarbamimidothioate Traditional Name: 2-[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-(4-chlorobenzyl)-1-phenyl-isothiourea Formula: C24H19BrClN3O2S MolecularWeight: 528.84856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=NCC3=CC=C(C=C3)Cl)NC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=NCC3=CC=C(C=C3)Cl)NC4=CC=CC=C4

InChI

InChI=1S/C24H19BrClN3O2S/c25-17-8-12-20(13-9-17)29-22(30)14-21(23(29)31)32-24(28-19-4-2-1-3-5-19)27-15-16-6-10-18(26)11-7-16/h1-13,21H,14-15H2,(H,27,28)