N-[4-methoxy-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]ethanamide

Systemtic Name: N-[4-methoxy-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]ethanamide Openeye Name: N-[4-methoxy-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]acetamide CAS Name: N-[4-methoxy-3-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-methoxy-3-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]acetamide Traditional Name: N-[4-methoxy-3-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)phenyl]acetamide Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H26N4O3S/c1-13(22)19-14-4-5-16(23-2)15(12-14)20-17(25)18-6-3-7-21-8-10-24-11-9-21/h4-5,12H,3,6-11H2,1-2H3,(H,19,22)(H2,18,20,25)/p+1