tert-butyl 2-[4-[(methylsulfanylcarbothioylamino)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(methylsulfanylcarbothioylamino)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(methylsulfanylcarbothioylamino)methyl]phenyl]benzoate CAS Name: 2-[4-[[[(methylthio)-sulfanylidenemethyl]amino]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(methylsulfanylcarbothioylamino)methyl]phenyl]benzoate Traditional Name: 2-[4-[[(methylthio)carbothioylamino]methyl]phenyl]benzoic acid tert-butyl ester Formula: C20H23NO2S2 MolecularWeight: 373.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC(=S)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC(=S)SC

InChI

InChI=1S/C20H23NO2S2/c1-20(2,3)23-18(22)17-8-6-5-7-16(17)15-11-9-14(10-12-15)13-21-19(24)25-4/h5-12H,13H2,1-4H3,(H,21,24)