[1-(2-ethyl-6-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [1-(2-ethyl-6-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[1-(2-ethyl-6-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(2-ethyl-6-methylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(2-ethyl-6-methylphenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[1-(2-ethyl-6-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N)C

InChI

InChI=1S/C21H20N4O2S/c1-3-15-9-7-8-14(2)19(15)25-18(26)12-17(20(25)27)28-21(23-13-22)24-16-10-5-4-6-11-16/h4-11,17H,3,12H2,1-2H3,(H,23,24)