N',N'-bis(2-methylpropyl)-N-(4-nitrophenyl)carbothioyl-propanediamide

Systemtic Name: N',N'-bis(2-methylpropyl)-N-(4-nitrophenyl)carbothioyl-propanediamide Openeye Name: N',N'-diisobutyl-N-(4-nitrobenzenecarbothioyl)propanediamide CAS Name: N',N'-bis(2-methylpropyl)-N-[(4-nitrophenyl)-sulfanylidenemethyl]propanediamide IUPAC Name: N',N'-bis(2-methylpropyl)-N-(4-nitrobenzenecarbothioyl)propanediamide Traditional Name: N',N'-diisobutyl-N-(4-nitrothiobenzoyl)malonamide Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-12(2)10-20(11-13(3)4)17(23)9-16(22)19-18(26)14-5-7-15(8-6-14)21(24)25/h5-8,12-13H,9-11H2,1-4H3,(H,19,22,26)