[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(3-iodophenyl)acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]-N-(3-iodophenyl)acetamide Formula: C22H26IN3OS MolecularWeight: 507.43081

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CN(C1CCCCC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C22H26IN3OS/c1-26(20-13-6-3-7-14-20)22(25-18-10-4-2-5-11-18)28-16-21(27)24-19-12-8-9-17(23)15-19/h2,4-5,8-12,15,20H,3,6-7,13-14,16H2,1H3,(H,24,27)