diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]thiocarbamoyl]amino]ethyl]ammonium Formula: C27H37N4OS+ MolecularWeight: 465.67388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C27H36N4OS/c1-5-21-13-14-25-23(17-21)18-24(26(32)29-25)19-31(16-15-30(6-2)7-3)27(33)28-20(4)22-11-9-8-10-12-22/h8-14,17-18,20H,5-7,15-16,19H2,1-4H3,(H,28,33)(H,29,32)/p+1/t20-/m1/s1