3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]thiocarbamoyl]amino]propyl]ammonium Formula: C28H39N4OS+ MolecularWeight: 479.70046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C28H38N4OS/c1-6-31(7-2)14-11-15-32(28(34)29-22(5)23-12-9-8-10-13-23)19-24-18-25-21(4)16-20(3)17-26(25)30-27(24)33/h8-10,12-13,16-18,22H,6-7,11,14-15,19H2,1-5H3,(H,29,34)(H,30,33)/p+1/t22-/m1/s1