methyl 2-[[cyclopentyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-(4-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=C(C=C2)F)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)F)C3CCCC3

InChI

InChI=1S/C21H23FN2O2S/c1-26-20(25)18-8-4-5-9-19(18)23-21(27)24(17-6-2-3-7-17)14-15-10-12-16(22)13-11-15/h4-5,8-13,17H,2-3,6-7,14H2,1H3,(H,23,27)