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

Systemtic Name: [2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl] N'-(2-chlorophenyl)-N-cyano-carbamimidothioate Openeye Name: 3-(2-chlorophenyl)-1-cyano-2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)isothiourea CAS Name: N'-(2-chlorophenyl)-N-cyanocarbamimidothioic acid (2,5-dioxo-1-phenyl-3-pyrrolidinyl) ester IUPAC Name: (2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-(2-chlorophenyl)-N-cyanocarbamimidothioate Traditional Name: 3-(2-chlorophenyl)-1-cyano-2-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)isothiourea Formula: C18H13ClN4O2S MolecularWeight: 384.83942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC(=NC3=CC=CC=C3Cl)NC#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC(=NC3=CC=CC=C3Cl)NC#N

InChI

InChI=1S/C18H13ClN4O2S/c19-13-8-4-5-9-14(13)22-18(21-11-20)26-15-10-16(24)23(17(15)25)12-6-2-1-3-7-12/h1-9,15H,10H2,(H,21,22)