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

Systemtic Name: [1-(3-chloranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 2-[1-(3-chloro-4-methoxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-cyano-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 2-[1-(3-chloro-4-methoxy-phenyl)-2,5-diketo-pyrrolidin-3-yl]-1-cyano-3-phenyl-isothiourea Formula: C19H15ClN4O3S MolecularWeight: 414.8654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC#N)Cl

InChI

InChI=1S/C19H15ClN4O3S/c1-27-15-8-7-13(9-14(15)20)24-17(25)10-16(18(24)26)28-19(22-11-21)23-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,22,23)