[(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-phenylcarbamimidothioate

Systemtic Name: [(3R)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-phenylcarbamimidothioate Openeye Name: 2-[(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [(3R)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-phenylcarbamimidothioate Traditional Name: 2-[(3R)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)SC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N3O3S/c1-2-3-4-8-15-29-19-13-11-18(12-14-19)26-21(27)16-20(22(26)28)30-23(24)25-17-9-6-5-7-10-17/h5-7,9-14,20H,2-4,8,15-16H2,1H3,(H2,24,25)/t20-/m1/s1