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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-(N-cyclohexyl-N-methyl-N'-phenyl-carbamimidoyl)sulfanyl-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[(N-cyclohexyl-N-methyl-N'-phenyl-amidino)thio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C23H28FN3OS MolecularWeight: 413.551323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3)F

InChI

InChI=1S/C23H28FN3OS/c1-17-13-14-19(15-21(17)24)25-22(28)16-29-23(26-18-9-5-3-6-10-18)27(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,25,28)