methyl 4-[[4-[(4-fluorophenyl)carbonylamino]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-[(4-fluorophenyl)carbonylamino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-[(4-fluorobenzoyl)amino]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[[(4-fluorophenyl)-oxomethyl]amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-fluorobenzoyl)amino]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[(4-fluorobenzoyl)amino]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O3S/c1-28-20(27)15-4-8-17(9-5-15)24-21(29)25-12-10-18(11-13-25)23-19(26)14-2-6-16(22)7-3-14/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,29)