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

Systemtic Name: [1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C19H16N4O2S MolecularWeight: 364.42094

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S/c1-13-7-9-15(10-8-13)23-17(24)11-16(18(23)25)26-19(21-12-20)22-14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,21,22)