N-[(2,6-dimethylphenyl)carbamothioyl]octanamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]octanamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]octanamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]octanamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]caprylamide Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C17H26N2OS/c1-4-5-6-7-8-12-15(20)18-17(21)19-16-13(2)10-9-11-14(16)3/h9-11H,4-8,12H2,1-3H3,(H2,18,19,20,21)