N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[(pivaloylthiocarbamoylamino)carbamoyl]phenyl]cyclohexanecarboxamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-20(2,3)18(27)22-19(28)24-23-17(26)14-9-11-15(12-10-14)21-16(25)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,21,25)(H,23,26)(H2,22,24,27,28)