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

Systemtic Name: N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: 3-cyclohexyl-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C18H23Br2N3O3S MolecularWeight: 521.26652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23Br2N3O3S/c19-13-7-8-15(14(20)10-13)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)