N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[(3-cyclohexylpropanoylthiocarbamoylamino)carbamoyl]phenyl]-2-methyl-propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-14(2)19(27)22-17-11-9-16(10-12-17)20(28)24-25-21(29)23-18(26)13-8-15-6-4-3-5-7-15/h9-12,14-15H,3-8,13H2,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29)