4-methoxy-N-(2-methylsulfanylethyl)-3-[[4-(octylamino)phenyl]carbonylamino]benzamide

Systemtic Name: 4-methoxy-N-(2-methylsulfanylethyl)-3-[[4-(octylamino)phenyl]carbonylamino]benzamide Openeye Name: 4-methoxy-N-(2-methylsulfanylethyl)-3-[[4-(octylamino)benzoyl]amino]benzamide CAS Name: 4-methoxy-N-[2-(methylthio)ethyl]-3-[[[4-(octylamino)phenyl]-oxomethyl]amino]benzamide IUPAC Name: 4-methoxy-N-(2-methylsulfanylethyl)-3-[[4-(octylamino)benzoyl]amino]benzamide Traditional Name: 4-methoxy-N-[2-(methylthio)ethyl]-3-[[4-(octylamino)benzoyl]amino]benzamide Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCSC)OC

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCSC)OC

InChI

InChI=1S/C26H37N3O3S/c1-4-5-6-7-8-9-16-27-22-13-10-20(11-14-22)26(31)29-23-19-21(12-15-24(23)32-2)25(30)28-17-18-33-3/h10-15,19,27H,4-9,16-18H2,1-3H3,(H,28,30)(H,29,31)