[(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-phenylcarbamimidothioate

Systemtic Name: [(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-phenylcarbamimidothioate Openeye Name: 2-[(3R)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [(3R)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl] N'-phenylcarbamimidothioate Traditional Name: 2-[(3R)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=NC3=CC=CC=C3)N

Isomeric SMILES

C1[C@H](C(=O)N(C1=O)C2=CC=C(C=C2)Br)SC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C17H14BrN3O2S/c18-11-6-8-13(9-7-11)21-15(22)10-14(16(21)23)24-17(19)20-12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,19,20)/t14-/m1/s1