N,N-diethyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzamide

Systemtic Name: N,N-diethyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzamide Openeye Name: N,N-diethyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzamide CAS Name: N,N-diethyl-4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzamide Traditional Name: N,N-diethyl-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)benzamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C19H30N4O2S/c1-3-23(4-2)18(24)16-6-8-17(9-7-16)21-19(26)20-10-5-11-22-12-14-25-15-13-22/h6-9H,3-5,10-15H2,1-2H3,(H2,20,21,26)/p+1