N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]carbamothioyl]-3-cyclohexyl-propanamide CAS Name: N-[[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-cyclohexylpropanamide IUPAC Name: N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C18H23BrClN3O3S MolecularWeight: 476.81552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C18H23BrClN3O3S/c19-14-10-13(20)7-8-15(14)26-11-17(25)22-23-18(27)21-16(24)9-6-12-4-2-1-3-5-12/h7-8,10,12H,1-6,9,11H2,(H,22,25)(H2,21,23,24,27)