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

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methyl-propanamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methyl-propanamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-2-methylpropanamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)phenyl]-2-methyl-propionamide Formula: C22H37N4O4S+ MolecularWeight: 453.61858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C(C)C)OCC)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C(C)C)OCC)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C22H36N4O4S/c1-5-29-19-15-18(20(30-6-2)14-17(19)24-21(27)16(3)4)25-22(31)23-8-7-9-26-10-12-28-13-11-26/h14-16H,5-13H2,1-4H3,(H,24,27)(H2,23,25,31)/p+1