S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-nitrobenzenecarbothioate

Systemtic Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-nitrobenzenecarbothioate Openeye Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-nitrobenzenecarbothioate CAS Name: 2-nitrobenzenecarbothioic acid S-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl] ester IUPAC Name: S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-nitrobenzenecarbothioate Traditional Name: 2-nitrothiobenzoic acid S-[2-(pivaloylamino)phenyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-18(2,3)17(22)19-13-9-5-7-11-15(13)25-16(21)12-8-4-6-10-14(12)20(23)24/h4-11H,1-3H3,(H,19,22)