1-[(2S)-2-ethylhexyl]-3-(2-quinolin-8-ylsulfanylethanoylamino)thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-(2-quinolin-8-ylsulfanylethanoylamino)thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(8-quinolylsulfanyl)acetyl]amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[1-oxo-2-(8-quinolinylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(8-quinolylthio)acetyl]amino]thiourea Formula: C20H28N4OS2 MolecularWeight: 404.59252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)CSC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)CSC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C20H28N4OS2/c1-3-5-8-15(4-2)13-22-20(26)24-23-18(25)14-27-17-11-6-9-16-10-7-12-21-19(16)17/h6-7,9-12,15H,3-5,8,13-14H2,1-2H3,(H,23,25)(H2,22,24,26)/t15-/m0/s1