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

Systemtic Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[3-(2-chlorophenyl)propanoylthiocarbamoylamino]carbamoyl]phenyl]-2-methyl-propionamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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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)CCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H23ClN4O3S/c1-13(2)19(28)23-16-10-7-15(8-11-16)20(29)25-26-21(30)24-18(27)12-9-14-5-3-4-6-17(14)22/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,28)(H,25,29)(H2,24,26,27,30)