phenacyl N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: phenacyl N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-cyclohexyl-1-methyl-2-phenacyl-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid phenacyl ester IUPAC Name: phenacyl N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-cyclohexyl-1-methyl-2-phenacyl-3-phenyl-isothiourea Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2OS/c1-24(20-15-9-4-10-16-20)22(23-19-13-7-3-8-14-19)26-17-21(25)18-11-5-2-6-12-18/h2-3,5-8,11-14,20H,4,9-10,15-17H2,1H3