N-butyl-4-methylsulfanyl-3-[[4-(octylamino)phenyl]carbonylamino]benzamide

Systemtic Name: N-butyl-4-methylsulfanyl-3-[[4-(octylamino)phenyl]carbonylamino]benzamide Openeye Name: N-butyl-4-methylsulfanyl-3-[[4-(octylamino)benzoyl]amino]benzamide CAS Name: N-butyl-4-(methylthio)-3-[[[4-(octylamino)phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-butyl-4-methylsulfanyl-3-[[4-(octylamino)benzoyl]amino]benzamide Traditional Name: N-butyl-4-(methylthio)-3-[[4-(octylamino)benzoyl]amino]benzamide Formula: C27H39N3O2S MolecularWeight: 469.68246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCC)SC

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCC)SC

InChI

InChI=1S/C27H39N3O2S/c1-4-6-8-9-10-11-19-28-23-15-12-21(13-16-23)27(32)30-24-20-22(14-17-25(24)33-3)26(31)29-18-7-5-2/h12-17,20,28H,4-11,18-19H2,1-3H3,(H,29,31)(H,30,32)