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

Systemtic Name: 2-[(2-methoxycarbonylphenyl)carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-methoxycarbonylphenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-methoxycarbonylanilino)-sulfanylidenemethyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-methoxycarbonylphenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-carbomethoxyphenyl)thiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H28N4O3S/c1-16-9-10-17-14-18(22(29)25-21(17)13-16)15-28(12-11-27(2)3)24(32)26-20-8-6-5-7-19(20)23(30)31-4/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,29)(H,26,32)/p+1