dimethyl-[3-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]propyl]ammonium CAS Name: 3-[[anilino(sulfanylidene)methyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: dimethyl-[3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]propyl]azanium Traditional Name: 3-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-(phenylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-17-10-11-18-15-19(22(28)25-21(18)14-17)16-27(13-7-12-26(2)3)23(29)24-20-8-5-4-6-9-20/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)/p+1