cyclohexyl 4-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-chloro-4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-14-7-8-16(13-19(14)23)20(26)25-22(29)24-17-11-9-15(10-12-17)21(27)28-18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H2,24,25,26,29)