diethyl-[3-[[2-hydroxyethyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[2-hydroxyethyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[2-hydroxyethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[2-hydroxyethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-hydroxyethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-hydroxyethyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl]ammonium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N(CCO)CC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N(CCO)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C21H32N4O3S/c1-4-24(5-2)10-6-9-22-21(29)25(11-12-26)15-17-13-16-7-8-18(28-3)14-19(16)23-20(17)27/h7-8,13-14,26H,4-6,9-12,15H2,1-3H3,(H,22,29)(H,23,27)/p+1