N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[(3-cyclohexylpropanoylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-butyramide Formula: C22H32N4O3S MolecularWeight: 432.57948

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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)CCC2CCCCC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C22H32N4O3S/c1-15(2)14-20(28)23-18-11-9-17(10-12-18)21(29)25-26-22(30)24-19(27)13-8-16-6-4-3-5-7-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,23,28)(H,25,29)(H2,24,26,27,30)