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

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-3-methyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-3-methyl-benzamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)phenyl]-3-methylbenzamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)phenyl]-3-methyl-benzamide Formula: C26H37N4O4S+ MolecularWeight: 501.66138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)C)OCC)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)C)OCC)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C26H36N4O4S/c1-4-33-23-18-22(29-26(35)27-10-7-11-30-12-14-32-15-13-30)24(34-5-2)17-21(23)28-25(31)20-9-6-8-19(3)16-20/h6,8-9,16-18H,4-5,7,10-15H2,1-3H3,(H,28,31)(H2,27,29,35)/p+1