N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]caprylamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-4-5-6-7-8-9-18(24)21-20(27)23-22-19(25)16-10-12-17(13-11-16)26-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,22,25)(H2,21,23,24,27)