2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-cyclohexyl-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1-methyl-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-cyclohexyl-1-methyl-3-phenyl-2-(2-phthalimidoethyl)isothiourea Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O2S/c1-26(19-12-6-3-7-13-19)24(25-18-10-4-2-5-11-18)30-17-16-27-22(28)20-14-8-9-15-21(20)23(27)29/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3