N-[[4-(butanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]caprylamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-3-5-6-7-8-10-18(24)22-19(25)21-16-13-11-15(12-14-16)20-17(23)9-4-2/h11-14H,3-10H2,1-2H3,(H,20,23)(H2,21,22,24,25)