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

Systemtic Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[oxo-[[(1-oxobutylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[(butyrylthiocarbamoylamino)carbamoyl]phenyl]cyclohexanecarboxamide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-2-6-16(24)21-19(27)23-22-18(26)14-9-11-15(12-10-14)20-17(25)13-7-4-3-5-8-13/h9-13H,2-8H2,1H3,(H,20,25)(H,22,26)(H2,21,23,24,27)