N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[oxo-[[(1-oxohexylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[(caproylthiocarbamoylamino)carbamoyl]phenyl]cyclohexanecarboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C21H30N4O3S/c1-2-3-5-10-18(26)23-21(29)25-24-20(28)16-11-13-17(14-12-16)22-19(27)15-8-6-4-7-9-15/h11-15H,2-10H2,1H3,(H,22,27)(H,24,28)(H2,23,25,26,29)