[1-(4-ethanoylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [1-(4-ethanoylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 2-[1-(4-acetylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-cyano-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(4-acetylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-acetylphenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 2-[1-(4-acetylphenyl)-2,5-diketo-pyrrolidin-3-yl]-1-cyano-3-phenyl-isothiourea Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C20H16N4O3S/c1-13(25)14-7-9-16(10-8-14)24-18(26)11-17(19(24)27)28-20(22-12-21)23-15-5-3-2-4-6-15/h2-10,17H,11H2,1H3,(H,22,23)