diethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(p-tolylmethyl)carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(4-methylbenzyl)thiocarbamoyl]amino]propyl]ammonium Formula: C27H37N4OS+ MolecularWeight: 465.67388

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC3=C(C(=CC=C3)C)NC2=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N(CC1=CC=C(C=C1)C)CC2=CC3=C(C(=CC=C3)C)NC2=O

InChI

InChI=1S/C27H36N4OS/c1-5-30(6-2)16-8-15-28-27(33)31(18-22-13-11-20(3)12-14-22)19-24-17-23-10-7-9-21(4)25(23)29-26(24)32/h7,9-14,17H,5-6,8,15-16,18-19H2,1-4H3,(H,28,33)(H,29,32)/p+1