[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]acetamide Formula: C22H25ClFN3OS MolecularWeight: 433.969803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFN3OS/c1-27(18-10-6-3-7-11-18)22(26-16-8-4-2-5-9-16)29-15-21(28)25-17-12-13-20(24)19(23)14-17/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3,(H,25,28)