N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H26N4O5S/c1-3-14(2)15-4-7-20(27)18(12-15)23-22(32)24-21(28)17-13-16(26(29)30)5-6-19(17)25-8-10-31-11-9-25/h4-7,12-14,27H,3,8-11H2,1-2H3,(H2,23,24,28,32)