cyclohexyl 2-chloranyl-5-[(2-methylphenyl)carbothioylamino]benzoate

Systemtic Name: cyclohexyl 2-chloranyl-5-[(2-methylphenyl)carbothioylamino]benzoate Openeye Name: cyclohexyl 2-chloro-5-[(2-methylbenzenecarbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(2-methylphenyl)-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-chloro-5-[(2-methylbenzenecarbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(2-methylthiobenzoyl)amino]benzoic acid cyclohexyl ester Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC3CCCCC3

InChI

InChI=1S/C21H22ClNO2S/c1-14-7-5-6-10-17(14)20(26)23-15-11-12-19(22)18(13-15)21(24)25-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,23,26)