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

Systemtic Name: [1-(4-acetamidophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: N-[4-[3-(N-cyano-N'-phenyl-carbamimidoyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]phenyl]acetamide CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(4-acetamidophenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: N-[4-[3-[(N-cyano-N'-phenyl-amidino)thio]-2,5-diketo-pyrrolidino]phenyl]acetamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C20H17N5O3S/c1-13(26)23-15-7-9-16(10-8-15)25-18(27)11-17(19(25)28)29-20(22-12-21)24-14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,22,24)(H,23,26)