N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[(isovalerylthiocarbamoylamino)carbamoyl]phenyl]cyclohexanecarboxamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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