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

Systemtic Name: cyclohexyl 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate Openeye Name: cyclohexyl 5-(benzenecarbonothioylamino)-2-chloro-benzoate CAS Name: 5-(benzenecarbonothioylamino)-2-chlorobenzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-(benzenecarbonothioylamino)-2-chlorobenzoate Traditional Name: 5-(benzenecarbonothioylamino)-2-chloro-benzoic acid cyclohexyl ester Formula: C20H20ClNO2S MolecularWeight: 373.8963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=C(C=CC(=C2)NC(=S)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=C(C=CC(=C2)NC(=S)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H20ClNO2S/c21-18-12-11-15(22-19(25)14-7-3-1-4-8-14)13-17(18)20(23)24-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,25)