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2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-quinolin-8-ylsulfanyl-butanamide
2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-2-quinolin-8-ylsulfanyl-butanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC2=C1N=CC=C2
Isomeric SMILES
CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C27H35N3OS/c1-6-8-11-19-29-25(31)27(7-2,30-21-12-9-10-18-26(3,4)5)32-23-17-13-15-22-16-14-20-28-24(22)23/h13-17,20,30H,6-8,11,19,21H2,1-5H3,(H,29,31)
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