diethyl-[3-[[2-hydroxyethyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[2-hydroxyethyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[2-hydroxyethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[2-hydroxyethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[2-hydroxyethyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[2-hydroxyethyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl]ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-4-24(5-2)11-7-10-22-21(28)25(12-13-26)15-18-14-17-9-6-8-16(3)19(17)23-20(18)27/h6,8-9,14,26H,4-5,7,10-13,15H2,1-3H3,(H,22,28)(H,23,27)/p+1