N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methyl-benzamide

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methyl-benzamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methylbenzamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)phenyl]-2-methyl-benzamide Formula: C26H37N4O4S+ MolecularWeight: 501.66138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2C)OCC)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2C)OCC)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C26H36N4O4S/c1-4-33-23-18-22(29-26(35)27-11-8-12-30-13-15-32-16-14-30)24(34-5-2)17-21(23)28-25(31)20-10-7-6-9-19(20)3/h6-7,9-10,17-18H,4-5,8,11-16H2,1-3H3,(H,28,31)(H2,27,29,35)/p+1