diethyl-[3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl]azanium

Systemtic Name: diethyl-[3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl]azanium Openeye Name: diethyl-[3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholinopropylcarbamothioyl)amino]propyl]ammonium CAS Name: diethyl-[3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(3-morpholinopropylthiocarbamoyl)amino]propyl]ammonium Formula: C26H42N5O3S+ MolecularWeight: 504.70838

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCN3CCOCC3

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCN3CCOCC3

InChI

InChI=1S/C26H41N5O3S/c1-4-29(5-2)12-7-13-31(26(35)27-10-6-11-30-14-16-34-17-15-30)20-22-18-21-8-9-23(33-3)19-24(21)28-25(22)32/h8-9,18-19H,4-7,10-17,20H2,1-3H3,(H,27,35)(H,28,32)/p+1