N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: 3-cyclohexyl-N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C22H25Br2N3O3S MolecularWeight: 571.3252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C22H25Br2N3O3S/c23-16-8-9-17-15(12-16)7-10-18(21(17)24)30-13-20(29)26-27-22(31)25-19(28)11-6-14-4-2-1-3-5-14/h7-10,12,14H,1-6,11,13H2,(H,26,29)(H2,25,27,28,31)