[2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]-1-cyclohexyl-1-methyl-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[2-(4-bromophenyl)-2-keto-ethyl]-1-cyclohexyl-1-methyl-3-phenyl-isothiourea Formula: C22H25BrN2OS MolecularWeight: 445.4157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2OS/c1-25(20-10-6-3-7-11-20)22(24-19-8-4-2-5-9-19)27-16-21(26)17-12-14-18(23)15-13-17/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3