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

Systemtic Name: 2-[(4-ethoxyphenyl)carbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxyphenyl)carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxyphenyl)carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(p-phenetylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C24H31N4O3S+ MolecularWeight: 455.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C24H30N4O3S/c1-5-31-20-10-7-19(8-11-20)25-24(32)28(13-12-27(2)3)16-18-14-17-6-9-21(30-4)15-22(17)26-23(18)29/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,25,32)(H,26,29)/p+1