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

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]cyclopropanecarboxamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]cyclopropanecarboxamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]cyclopropanecarboxamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)phenyl]cyclopropanecarboxamide Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2CC2)OCC)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H34N4O4S/c1-3-29-19-15-18(20(30-4-2)14-17(19)24-21(27)16-6-7-16)25-22(31)23-8-5-9-26-10-12-28-13-11-26/h14-16H,3-13H2,1-2H3,(H,24,27)(H2,23,25,31)/p+1