2-methyl-N-[3-(2-methylpentanethioylamino)phenyl]-N-(4-methylpent-2-ynoxy)butanamide

Systemtic Name: 2-methyl-N-[3-(2-methylpentanethioylamino)phenyl]-N-(4-methylpent-2-ynoxy)butanamide Openeye Name: 2-methyl-N-[3-(2-methylpentanethioylamino)phenyl]-N-(4-methylpent-2-ynoxy)butanamide CAS Name: 2-methyl-N-(4-methylpent-2-ynoxy)-N-[3-[(2-methyl-1-sulfanylidenepentyl)amino]phenyl]butanamide IUPAC Name: 2-methyl-N-[3-(2-methylpentanethioylamino)phenyl]-N-(4-methylpent-2-ynoxy)butanamide Traditional Name: 2-methyl-N-[3-(2-methylpentanethioylamino)phenyl]-N-(4-methylpent-2-ynoxy)butyramide Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=S)NC1=CC(=CC=C1)N(C(=O)C(C)CC)OCC#CC(C)C

Isomeric SMILES

CCCC(C)C(=S)NC1=CC(=CC=C1)N(C(=O)C(C)CC)OCC#CC(C)C

InChI

InChI=1S/C23H34N2O2S/c1-7-11-19(6)22(28)24-20-13-9-14-21(16-20)25(23(26)18(5)8-2)27-15-10-12-17(3)4/h9,13-14,16-19H,7-8,11,15H2,1-6H3,(H,24,28)