4-(3-methylbutylsulfanyl)-N-(4-morpholin-4-ylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-(4-morpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(4-morpholinophenyl)-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[4-(4-morpholinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-(4-morpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(4-morpholinophenyl)-3-nitro-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c1-16(2)9-14-30-21-8-3-17(15-20(21)25(27)28)22(26)23-18-4-6-19(7-5-18)24-10-12-29-13-11-24/h3-8,15-16H,9-14H2,1-2H3,(H,23,26)