2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(3-chlorophenyl)carbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-diethylazanium Traditional Name: 2-[(3-chlorophenyl)thiocarbamoyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]amino]ethyl-diethyl-ammonium Formula: C25H32ClN4OS+ MolecularWeight: 472.06578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H31ClN4OS/c1-4-18-10-11-23-19(14-18)15-20(24(31)28-23)17-30(13-12-29(5-2)6-3)25(32)27-22-9-7-8-21(26)16-22/h7-11,14-16H,4-6,12-13,17H2,1-3H3,(H,27,32)(H,28,31)/p+1