3-(2-methylpropoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O5S/c1-11(2)10-26-14-5-3-4-12(8-14)17(23)20-18(27)19-15-9-13(21(24)25)6-7-16(15)22/h3-9,11,22H,10H2,1-2H3,(H2,19,20,23,27)