methyl 2-[[cyclopentyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(2-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-(2-fluorobenzyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2F)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC=CC=C2F)C3CCCC3

InChI

InChI=1S/C21H23FN2O2S/c1-26-20(25)17-11-5-7-13-19(17)23-21(27)24(16-9-3-4-10-16)14-15-8-2-6-12-18(15)22/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H,23,27)