tert-butyl 5-(methylsulfanylcarbothioylamino)-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-(methylsulfanylcarbothioylamino)-2-phenyl-benzoate Openeye Name: tert-butyl 5-(methylsulfanylcarbothioylamino)-2-phenyl-benzoate CAS Name: 5-[[(methylthio)-sulfanylidenemethyl]amino]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(methylsulfanylcarbothioylamino)-2-phenylbenzoate Traditional Name: 5-[(methylthio)carbothioylamino]-2-phenyl-benzoic acid tert-butyl ester Formula: C19H21NO2S2 MolecularWeight: 359.50554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO2S2/c1-19(2,3)22-17(21)16-12-14(20-18(23)24-4)10-11-15(16)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,23)