N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]octanamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]octanamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]octanamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]caprylamide Formula: C19H28ClN3O2S MolecularWeight: 397.96252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O2S/c1-3-5-6-7-8-10-18(25)23-19(26)22-16-13-14(11-12-15(16)20)21-17(24)9-4-2/h11-13H,3-10H2,1-2H3,(H,21,24)(H2,22,23,25,26)