N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(3-isobutoxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(3-isobutoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-12(2)11-25-16-5-3-4-14(10-16)19-18(26)20-17(22)13-6-8-15(9-7-13)21(23)24/h3-10,12H,11H2,1-2H3,(H2,19,20,22,26)