methyl 2-[4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(3-morpholinopropylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(3-morpholinopropylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2

InChI

InChI=1S/C17H25N3O3S/c1-22-16(21)13-14-3-5-15(6-4-14)19-17(24)18-7-2-8-20-9-11-23-12-10-20/h3-6H,2,7-13H2,1H3,(H2,18,19,24)