[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-1-methyl-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-cyclohexyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-1-methyl-3-phenyl-isothiourea Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H28N2O3S/c1-26(20-10-6-3-7-11-20)24(25-19-8-4-2-5-9-19)30-17-21(27)18-12-13-22-23(16-18)29-15-14-28-22/h2,4-5,8-9,12-13,16,20H,3,6-7,10-11,14-15,17H2,1H3