(2-methylcyclohexyl) 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate

Systemtic Name: (2-methylcyclohexyl) 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate Openeye Name: (2-methylcyclohexyl) 5-(benzenecarbonothioylamino)-2-chloro-benzoate CAS Name: 5-(benzenecarbonothioylamino)-2-chlorobenzoic acid (2-methylcyclohexyl) ester IUPAC Name: (2-methylcyclohexyl) 5-(benzenecarbonothioylamino)-2-chlorobenzoate Traditional Name: 5-(benzenecarbonothioylamino)-2-chloro-benzoic acid (2-methylcyclohexyl) ester Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OC(=O)C2=C(C=CC(=C2)NC(=S)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1CCCCC1OC(=O)C2=C(C=CC(=C2)NC(=S)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO2S/c1-14-7-5-6-10-19(14)25-21(24)17-13-16(11-12-18(17)22)23-20(26)15-8-3-2-4-9-15/h2-4,8-9,11-14,19H,5-7,10H2,1H3,(H,23,26)