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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]octanamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]caprylamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-3-5-6-7-8-10-18(26)22-20(28)24-23-19(27)15-11-13-16(14-12-15)21-17(25)9-4-2/h11-14H,3-10H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,28)