2,4-dimethylpentan-3-yl 2-chloranyl-5-[(2-fluorophenyl)carbothioylamino]benzoate

Systemtic Name: 2,4-dimethylpentan-3-yl 2-chloranyl-5-[(2-fluorophenyl)carbothioylamino]benzoate Openeye Name: (1-isopropyl-2-methyl-propyl) 2-chloro-5-[(2-fluorobenzenecarbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(2-fluorophenyl)-sulfanylidenemethyl]amino]benzoic acid 2,4-dimethylpentan-3-yl ester IUPAC Name: 2,4-dimethylpentan-3-yl 2-chloro-5-[(2-fluorobenzenecarbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(2-fluorothiobenzoyl)amino]benzoic acid (1-isopropyl-2-methyl-propyl) ester Formula: C21H23ClFNO2S MolecularWeight: 407.929223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2F)Cl

Isomeric SMILES

CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2F)Cl

InChI

InChI=1S/C21H23ClFNO2S/c1-12(2)19(13(3)4)26-21(25)16-11-14(9-10-17(16)22)24-20(27)15-7-5-6-8-18(15)23/h5-13,19H,1-4H3,(H,24,27)