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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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