tert-butyl 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate

Systemtic Name: tert-butyl 5-(benzenecarbonothioylamino)-2-chloranyl-benzoate Openeye Name: tert-butyl 5-(benzenecarbonothioylamino)-2-chloro-benzoate CAS Name: 5-(benzenecarbonothioylamino)-2-chlorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(benzenecarbonothioylamino)-2-chlorobenzoate Traditional Name: 5-(benzenecarbonothioylamino)-2-chloro-benzoic acid tert-butyl ester Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO2S/c1-18(2,3)22-17(21)14-11-13(9-10-15(14)19)20-16(23)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,23)