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

Systemtic Name: [1-(2,4-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[1-(2,4-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[1-(2,4-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N)C

InChI

InChI=1S/C20H18N4O2S/c1-13-8-9-16(14(2)10-13)24-18(25)11-17(19(24)26)27-20(22-12-21)23-15-6-4-3-5-7-15/h3-10,17H,11H2,1-2H3,(H,22,23)