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

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]cyclohexanecarboxamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]cyclohexanecarboxamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]cyclohexanecarboxamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)phenyl]cyclohexanecarboxamide Formula: C25H41N4O4S+ MolecularWeight: 493.68244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2CCCCC2)OCC)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2CCCCC2)OCC)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C25H40N4O4S/c1-3-32-22-18-21(28-25(34)26-11-8-12-29-13-15-31-16-14-29)23(33-4-2)17-20(22)27-24(30)19-9-6-5-7-10-19/h17-19H,3-16H2,1-2H3,(H,27,30)(H2,26,28,34)/p+1