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

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]propanamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholinopropylcarbamothioylamino)phenyl]propanamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]propanamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholinopropylthiocarbamoylamino)phenyl]propionamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NCCCN2CCOCC2)OCC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NCCCN2CCOCC2)OCC

InChI

InChI=1S/C21H34N4O4S/c1-4-20(26)23-16-14-19(29-6-3)17(15-18(16)28-5-2)24-21(30)22-8-7-9-25-10-12-27-13-11-25/h14-15H,4-13H2,1-3H3,(H,23,26)(H2,22,24,30)