N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]octanamide

Systemtic Name: N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]octanamide Openeye Name: N-[(3-chloro-2-methyl-phenyl)carbamothioyl]octanamide CAS Name: N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(3-chloro-2-methylphenyl)carbamothioyl]octanamide Traditional Name: N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]caprylamide Formula: C16H23ClN2OS MolecularWeight: 326.88462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2OS/c1-3-4-5-6-7-11-15(20)19-16(21)18-14-10-8-9-13(17)12(14)2/h8-10H,3-7,11H2,1-2H3,(H2,18,19,20,21)