2-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(p-tolylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(p-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-16-5-8-19(9-6-16)24-23(30)27(12-11-26(2)3)15-18-13-17-7-10-20(29-4)14-21(17)25-22(18)28/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,30)(H,25,28)/p+1