N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C20H28N4O3S/c1-13(2)12-17(25)21-16-10-8-15(9-11-16)19(27)23-24-20(28)22-18(26)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,28)