N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]octanamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]caprylamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-4-5-6-7-8-9-19(25)22-21(28)24-23-20(26)17-10-12-18(13-11-17)27-15-14-16(2)3/h10-13,16H,4-9,14-15H2,1-3H3,(H,23,26)(H2,22,24,25,28)