N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[[2-(o-tolyl)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[[2-(2-methylphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[[2-(o-tolyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclohexanecarboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H28N4O3S/c1-16-7-5-6-10-19(16)15-21(29)26-24(32)28-27-23(31)18-11-13-20(14-12-18)25-22(30)17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15H2,1H3,(H,25,30)(H,27,31)(H2,26,28,29,32)