N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]octanamide Openeye Name: N-[(3-isopentyloxyphenyl)carbamothioyl]octanamide CAS Name: N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]octanamide Traditional Name: N-[(3-isoamoxyphenyl)thiocarbamoyl]caprylamide Formula: C20H32N2O2S MolecularWeight: 364.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC(C)C

InChI

InChI=1S/C20H32N2O2S/c1-4-5-6-7-8-12-19(23)22-20(25)21-17-10-9-11-18(15-17)24-14-13-16(2)3/h9-11,15-16H,4-8,12-14H2,1-3H3,(H2,21,22,23,25)